PRD_000144
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.50Å | 1.51Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| N2 | C5 | sing | 1.48Å | 1.46Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.50Å | 1.53Å | |
| C5 | H9 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | C12 | sing | 1.48Å | 1.48Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C12 | C17 | sing | 1.50Å | 1.55Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.22Å | 1.23Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| N4 | C19 | sing | 1.48Å | 1.47Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.54Å | 1.57Å | |
| C19 | C23 | sing | 1.50Å | 1.55Å | |
| C19 | H35 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.22Å | 1.24Å | |
| N5 | C24 | sing | 1.46Å | 1.47Å | |
| N5 | C25 | sing | 1.49Å | 1.46Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.50Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.57Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | O5 | doub | 1.22Å | 1.23Å | |
| C27 | O6 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.56Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.31Å | 1.34Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| N6 | C34 | sing | 1.48Å | 1.46Å | |
| N6 | H60 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.53Å | |
| C34 | C36 | sing | 1.54Å | 1.57Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | O7 | doub | 1.22Å | 1.23Å | |
| C36 | O8 | sing | 1.43Å | 1.44Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| O8 | H63 | sing | 0.97Å | 0.95Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| N7 | C38 | sing | 1.48Å | 1.46Å | |
| N7 | C40 | sing | 1.46Å | 1.47Å | |
| C38 | C39 | sing | 1.50Å | 1.52Å | |
| C38 | H67 | sing | 1.10Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | O9 | doub | 1.22Å | 1.24Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| N8 | C41 | sing | 1.46Å | 1.46Å | |
| N8 | C42 | sing | 1.48Å | 1.46Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C47 | sing | 1.50Å | 1.54Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C46 | sing | 1.53Å | 1.53Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C45 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C46 | H84 | sing | 1.09Å | 1.10Å | |
| C47 | O10 | doub | 1.23Å | 1.24Å | |
| N9 | C48 | sing | 1.47Å | 1.47Å | |
| N9 | H85 | sing | 0.99Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.54Å | |
| C48 | H86 | sing | 1.09Å | 1.10Å | |
| C49 | O11 | doub | 1.22Å | 1.24Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | C52 | sing | 1.53Å | 1.52Å | |
| C50 | H87 | sing | 1.09Å | 1.10Å | |
| C51 | H88 | sing | 1.09Å | 1.10Å | |
| C51 | H89 | sing | 1.09Å | 1.10Å | |
| C51 | H90 | sing | 1.09Å | 1.10Å | |
| C52 | H91 | sing | 1.09Å | 1.10Å | |
| C52 | H92 | sing | 1.09Å | 1.10Å | |
| C52 | H93 | sing | 1.09Å | 1.10Å | |
| N10 | C53 | sing | 1.46Å | 1.46Å | |
| N10 | C54 | sing | 1.48Å | 1.46Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C53 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | C59 | sing | 1.50Å | 1.51Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | H99 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | C58 | sing | 1.53Å | 1.52Å | |
| C56 | H100 | sing | 1.09Å | 1.10Å | |
| C57 | H101 | sing | 1.09Å | 1.10Å | |
| C57 | H102 | sing | 1.09Å | 1.10Å | |
| C57 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | H105 | sing | 1.09Å | 1.10Å | |
| C58 | H106 | sing | 1.09Å | 1.10Å | |
| C59 | O12 | doub | 1.22Å | 1.24Å | |
| N11 | C60 | sing | 1.48Å | 1.46Å | |
| N11 | H107 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.51Å | 1.52Å | |
| C60 | C62 | sing | 1.53Å | 1.53Å | |
| C60 | H108 | sing | 1.09Å | 1.10Å | |
| C61 | O13 | doub | 1.21Å | 1.24Å | |
| C62 | H109 | sing | 1.09Å | 1.10Å | |
| C62 | H110 | sing | 1.09Å | 1.10Å | |
| C62 | H111 | sing | 1.09Å | 1.10Å | |
| N1 | C61 | sing | 1.35Å | 1.33Å | |
| C3 | N2 | sing | 1.36Å | 1.33Å | |
| C10 | N3 | sing | 1.37Å | 1.33Å | |
| C17 | N4 | sing | 1.36Å | 1.33Å | |
| C23 | N5 | sing | 1.36Å | 1.33Å | |
| C26 | N6 | sing | 1.36Å | 1.34Å | |
| C35 | N7 | sing | 1.37Å | 1.33Å | |
| C39 | N8 | sing | 1.36Å | 1.33Å | |
| C47 | N9 | sing | 1.34Å | 1.33Å | |
| C49 | N10 | sing | 1.36Å | 1.33Å | |
| C59 | N11 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.3° | 119.3° |
| N1 | C1 | C2 | 110.4° | 108.5° |
| N1 | C1 | C3 | 110.5° | 109.0° |
| N1 | C1 | H2 | 109.1° | 108.8° |
| C1 | N1 | C61 | 121.4° | 120.1° |
| H1 | N1 | C61 | 119.3° | 120.6° |
| C2 | C1 | C3 | 110.1° | 109.7° |
| C2 | C1 | H2 | 108.2° | 109.8° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.4° |
| C3 | C1 | H2 | 108.5° | 110.8° |
| C1 | C3 | O1 | 119.8° | 119.0° |
| C1 | C3 | N2 | 116.1° | 122.4° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H3 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| O1 | C3 | N2 | 123.0° | 118.6° |
| C4 | N2 | C5 | 115.5° | 120.3° |
| N2 | C4 | H6 | 109.5° | 109.4° |
| N2 | C4 | H7 | 109.5° | 109.4° |
| N2 | C4 | H8 | 109.4° | 109.5° |
| C4 | N2 | C3 | 124.7° | 120.0° |
| N2 | C5 | C6 | 110.1° | 108.3° |
| N2 | C5 | C10 | 113.4° | 109.0° |
| N2 | C5 | H9 | 108.0° | 109.8° |
| C5 | N2 | C3 | 119.4° | 119.7° |
| H6 | C4 | H7 | 109.4° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| C6 | C5 | C10 | 110.6° | 109.3° |
| C6 | C5 | H9 | 107.2° | 109.3° |
| C5 | C6 | C7 | 117.5° | 109.5° |
| C5 | C6 | H10 | 107.4° | 109.5° |
| C5 | C6 | H11 | 107.4° | 109.5° |
| C10 | C5 | H9 | 107.2° | 111.1° |
| C5 | C10 | O2 | 119.9° | 119.4° |
| C5 | C10 | N3 | 117.9° | 120.9° |
| C7 | C6 | H10 | 107.4° | 109.5° |
| C7 | C6 | H11 | 107.4° | 109.5° |
| C6 | C7 | C8 | 108.7° | 109.5° |
| C6 | C7 | C9 | 111.7° | 109.5° |
| C6 | C7 | H12 | 108.2° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | C7 | C9 | 111.4° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.4° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C9 | C7 | H12 | 108.3° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.4° | 109.5° |
| C7 | C9 | H18 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H16 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| O2 | C10 | N3 | 122.0° | 119.6° |
| C11 | N3 | C12 | 116.3° | 121.8° |
| N3 | C11 | H19 | 109.5° | 109.5° |
| N3 | C11 | H20 | 109.5° | 109.5° |
| N3 | C11 | H21 | 109.5° | 109.5° |
| C11 | N3 | C10 | 122.4° | 122.6° |
| N3 | C12 | C13 | 110.9° | 109.2° |
| N3 | C12 | C17 | 112.7° | 110.2° |
| N3 | C12 | H22 | 108.6° | 109.0° |
| C12 | N3 | C10 | 120.8° | 115.6° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H21 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| C13 | C12 | C17 | 109.0° | 108.0° |
| C13 | C12 | H22 | 107.8° | 108.6° |
| C12 | C13 | C14 | 119.5° | 109.4° |
| C12 | C13 | H23 | 106.9° | 109.4° |
| C12 | C13 | H24 | 106.9° | 109.5° |
| C17 | C12 | H22 | 107.7° | 111.9° |
| C12 | C17 | O3 | 119.9° | 118.9° |
| C12 | C17 | N4 | 117.2° | 122.3° |
| C14 | C13 | H23 | 106.9° | 109.4° |
| C14 | C13 | H24 | 106.9° | 109.5° |
| C13 | C14 | C15 | 108.8° | 109.4° |
| C13 | C14 | C16 | 110.7° | 109.5° |
| C13 | C14 | H25 | 108.6° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| C15 | C14 | C16 | 111.4° | 109.5° |
| C15 | C14 | H25 | 108.6° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C14 | C15 | H27 | 109.5° | 109.5° |
| C14 | C15 | H28 | 109.5° | 109.5° |
| C16 | C14 | H25 | 108.6° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C16 | H31 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.4° |
| H26 | C15 | H28 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.4° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.4° |
| H29 | C16 | H31 | 109.5° | 109.4° |
| H30 | C16 | H31 | 109.4° | 109.5° |
| O3 | C17 | N4 | 121.4° | 118.8° |
| C18 | N4 | C19 | 114.0° | 119.9° |
| N4 | C18 | H32 | 109.5° | 109.4° |
| N4 | C18 | H33 | 109.5° | 109.5° |
| N4 | C18 | H34 | 109.5° | 109.4° |
| C18 | N4 | C17 | 126.5° | 123.5° |
| N4 | C19 | C20 | 112.3° | 108.3° |
| N4 | C19 | C23 | 109.6° | 109.4° |
| N4 | C19 | H35 | 108.3° | 109.3° |
| C19 | N4 | C17 | 119.0° | 116.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H34 | 109.5° | 109.4° |
| H33 | C18 | H34 | 109.4° | 109.5° |
| C20 | C19 | C23 | 112.1° | 108.9° |
| C20 | C19 | H35 | 107.0° | 108.6° |
| C19 | C20 | C21 | 109.7° | 109.5° |
| C19 | C20 | C22 | 111.2° | 109.4° |
| C19 | C20 | H36 | 109.1° | 109.4° |
| C23 | C19 | H35 | 107.3° | 112.2° |
| C19 | C23 | O4 | 121.1° | 118.9° |
| C19 | C23 | N5 | 116.3° | 121.8° |
| C21 | C20 | C22 | 107.7° | 109.5° |
| C21 | C20 | H36 | 109.8° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.5° |
| C20 | C21 | H38 | 109.5° | 109.5° |
| C20 | C21 | H39 | 109.4° | 109.5° |
| C22 | C20 | H36 | 109.3° | 109.4° |
| C20 | C22 | H40 | 109.5° | 109.5° |
| C20 | C22 | H41 | 109.5° | 109.5° |
| C20 | C22 | H42 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H37 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H40 | C22 | H41 | 109.4° | 109.5° |
| H40 | C22 | H42 | 109.5° | 109.4° |
| H41 | C22 | H42 | 109.5° | 109.4° |
| O4 | C23 | N5 | 121.4° | 119.3° |
| C24 | N5 | C25 | 118.7° | 121.4° |
| N5 | C24 | H43 | 109.5° | 109.5° |
| N5 | C24 | H44 | 109.5° | 109.5° |
| N5 | C24 | H45 | 109.5° | 109.5° |
| C24 | N5 | C23 | 120.4° | 123.6° |
| N5 | C25 | C26 | 113.3° | 110.1° |
| N5 | C25 | C27 | 112.5° | 108.5° |
| N5 | C25 | H46 | 107.3° | 109.1° |
| C25 | N5 | C23 | 119.2° | 115.0° |
| H43 | C24 | H44 | 109.5° | 109.4° |
| H43 | C24 | H45 | 109.4° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| C26 | C25 | C27 | 110.5° | 110.7° |
| C26 | C25 | H46 | 106.6° | 109.2° |
| C25 | C26 | O5 | 120.5° | 119.8° |
| C25 | C26 | N6 | 116.4° | 120.9° |
| C27 | C25 | H46 | 106.2° | 109.1° |
| C25 | C27 | O6 | 109.9° | 109.5° |
| C25 | C27 | C28 | 111.7° | 109.5° |
| C25 | C27 | H47 | 107.9° | 109.5° |
| O5 | C26 | N6 | 122.5° | 119.2° |
| O6 | C27 | C28 | 109.7° | 109.5° |
| O6 | C27 | H47 | 109.6° | 109.5° |
| C27 | O6 | H48 | 109.5° | 114.0° |
| C28 | C27 | H47 | 108.0° | 109.4° |
| C27 | C28 | C29 | 110.7° | 109.5° |
| C27 | C28 | C30 | 109.9° | 109.5° |
| C27 | C28 | H49 | 108.4° | 109.5° |
| C29 | C28 | C30 | 110.4° | 109.5° |
| C29 | C28 | H49 | 108.6° | 109.5° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.5° |
| C30 | C28 | H49 | 108.8° | 109.5° |
| C28 | C30 | C31 | 115.7° | 109.5° |
| C28 | C30 | H53 | 107.9° | 109.5° |
| C28 | C30 | H54 | 107.9° | 109.4° |
| H50 | C29 | H51 | 109.4° | 109.4° |
| H50 | C29 | H52 | 109.5° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.4° |
| C31 | C30 | H53 | 107.9° | 109.5° |
| C31 | C30 | H54 | 107.9° | 109.5° |
| C30 | C31 | C32 | 122.2° | 120.0° |
| C30 | C31 | H55 | 118.9° | 120.1° |
| H53 | C30 | H54 | 109.5° | 109.4° |
| C32 | C31 | H55 | 118.9° | 120.0° |
| C31 | C32 | C33 | 124.3° | 120.0° |
| C31 | C32 | H56 | 117.8° | 120.0° |
| C33 | C32 | H56 | 117.8° | 119.9° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C33 | H58 | 109.5° | 109.5° |
| C32 | C33 | H59 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H57 | C33 | H59 | 109.5° | 109.5° |
| H58 | C33 | H59 | 109.4° | 109.5° |
| C34 | N6 | H60 | 119.7° | 119.3° |
| N6 | C34 | C35 | 112.6° | 109.0° |
| N6 | C34 | C36 | 111.4° | 109.0° |
| N6 | C34 | H61 | 107.9° | 110.1° |
| C34 | N6 | C26 | 120.7° | 118.0° |
| H60 | N6 | C26 | 119.6° | 122.7° |
| C35 | C34 | C36 | 110.9° | 108.5° |
| C35 | C34 | H61 | 107.0° | 111.5° |
| C34 | C35 | O7 | 120.0° | 119.0° |
| C34 | C35 | N7 | 116.6° | 122.0° |
| C36 | C34 | H61 | 106.6° | 108.7° |
| C34 | C36 | O8 | 110.9° | 109.5° |
| C34 | C36 | C37 | 110.0° | 109.5° |
| C34 | C36 | H62 | 108.4° | 109.5° |
| O7 | C35 | N7 | 122.7° | 119.1° |
| O8 | C36 | C37 | 108.5° | 109.5° |
| O8 | C36 | H62 | 110.1° | 109.5° |
| C36 | O8 | H63 | 109.5° | 114.0° |
| C37 | C36 | H62 | 108.9° | 109.4° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H64 | C37 | H66 | 109.5° | 109.5° |
| H65 | C37 | H66 | 109.5° | 109.4° |
| C38 | N7 | C40 | 115.1° | 122.4° |
| N7 | C38 | C39 | 110.8° | 110.5° |
| N7 | C38 | H67 | 109.2° | 107.8° |
| N7 | C38 | H68 | 109.1° | 110.1° |
| C38 | N7 | C35 | 120.4° | 114.3° |
| N7 | C40 | H69 | 109.5° | 109.5° |
| N7 | C40 | H70 | 109.4° | 109.5° |
| N7 | C40 | H71 | 109.5° | 109.5° |
| C40 | N7 | C35 | 124.5° | 123.3° |
| C39 | C38 | H67 | 109.2° | 108.6° |
| C39 | C38 | H68 | 109.1° | 111.7° |
| C38 | C39 | O9 | 120.3° | 119.4° |
| C38 | C39 | N8 | 117.0° | 122.2° |
| H67 | C38 | H68 | 109.5° | 108.0° |
| O9 | C39 | N8 | 122.7° | 118.4° |
| H69 | C40 | H70 | 109.5° | 109.5° |
| H69 | C40 | H71 | 109.5° | 109.5° |
| H70 | C40 | H71 | 109.5° | 109.5° |
| C41 | N8 | C42 | 115.8° | 120.9° |
| N8 | C41 | H72 | 109.5° | 109.5° |
| N8 | C41 | H73 | 109.5° | 109.5° |
| N8 | C41 | H74 | 109.5° | 109.5° |
| C41 | N8 | C39 | 122.3° | 123.2° |
| N8 | C42 | C43 | 111.2° | 109.4° |
| N8 | C42 | C47 | 111.8° | 109.3° |
| N8 | C42 | H75 | 108.7° | 108.8° |
| C42 | N8 | C39 | 120.9° | 115.9° |
| H72 | C41 | H73 | 109.4° | 109.4° |
| H72 | C41 | H74 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.5° | 109.5° |
| C43 | C42 | C47 | 109.5° | 110.4° |
| C43 | C42 | H75 | 107.9° | 109.4° |
| C42 | C43 | C44 | 116.9° | 109.4° |
| C42 | C43 | H76 | 107.6° | 109.4° |
| C42 | C43 | H77 | 107.6° | 109.4° |
| C47 | C42 | H75 | 107.7° | 109.5° |
| C42 | C47 | O10 | 120.5° | 118.3° |
| C42 | C47 | N9 | 116.7° | 121.4° |
| C44 | C43 | H76 | 107.6° | 109.5° |
| C44 | C43 | H77 | 107.6° | 109.5° |
| C43 | C44 | C45 | 108.6° | 109.4° |
| C43 | C44 | C46 | 110.6° | 109.5° |
| C43 | C44 | H78 | 109.3° | 109.5° |
| H76 | C43 | H77 | 109.5° | 109.5° |
| C45 | C44 | C46 | 109.5° | 109.5° |
| C45 | C44 | H78 | 109.3° | 109.5° |
| C44 | C45 | H79 | 109.5° | 109.5° |
| C44 | C45 | H80 | 109.5° | 109.4° |
| C44 | C45 | H81 | 109.5° | 109.5° |
| C46 | C44 | H78 | 109.4° | 109.5° |
| C44 | C46 | H82 | 109.5° | 109.5° |
| C44 | C46 | H83 | 109.5° | 109.5° |
| C44 | C46 | H84 | 109.5° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.4° |
| H79 | C45 | H81 | 109.5° | 109.5° |
| H80 | C45 | H81 | 109.5° | 109.5° |
| H82 | C46 | H83 | 109.4° | 109.5° |
| H82 | C46 | H84 | 109.5° | 109.4° |
| H83 | C46 | H84 | 109.5° | 109.5° |
| O10 | C47 | N9 | 122.5° | 120.3° |
| C48 | N9 | H85 | 119.3° | 118.5° |
| N9 | C48 | C49 | 110.1° | 109.3° |
| N9 | C48 | C50 | 111.4° | 111.3° |
| N9 | C48 | H86 | 109.2° | 108.4° |
| C48 | N9 | C47 | 121.5° | 122.2° |
| H85 | N9 | C47 | 119.3° | 119.2° |
| C49 | C48 | C50 | 109.3° | 109.2° |
| C49 | C48 | H86 | 108.4° | 110.1° |
| C48 | C49 | O11 | 120.6° | 119.3° |
| C48 | C49 | N10 | 116.8° | 121.4° |
| C50 | C48 | H86 | 108.3° | 108.6° |
| C48 | C50 | C51 | 110.2° | 109.5° |
| C48 | C50 | C52 | 110.0° | 109.5° |
| C48 | C50 | H87 | 108.6° | 109.5° |
| O11 | C49 | N10 | 122.5° | 119.3° |
| C51 | C50 | C52 | 110.7° | 109.5° |
| C51 | C50 | H87 | 108.6° | 109.4° |
| C50 | C51 | H88 | 109.5° | 109.4° |
| C50 | C51 | H89 | 109.4° | 109.5° |
| C50 | C51 | H90 | 109.4° | 109.4° |
| C52 | C50 | H87 | 108.7° | 109.5° |
| C50 | C52 | H91 | 109.5° | 109.5° |
| C50 | C52 | H92 | 109.5° | 109.5° |
| C50 | C52 | H93 | 109.5° | 109.5° |
| H88 | C51 | H89 | 109.5° | 109.5° |
| H88 | C51 | H90 | 109.5° | 109.4° |
| H89 | C51 | H90 | 109.5° | 109.5° |
| H91 | C52 | H92 | 109.5° | 109.5° |
| H91 | C52 | H93 | 109.5° | 109.5° |
| H92 | C52 | H93 | 109.4° | 109.5° |
| C53 | N10 | C54 | 117.3° | 120.6° |
| N10 | C53 | H94 | 109.5° | 109.5° |
| N10 | C53 | H95 | 109.5° | 109.5° |
| N10 | C53 | H96 | 109.5° | 109.5° |
| C53 | N10 | C49 | 122.5° | 123.6° |
| N10 | C54 | C55 | 111.0° | 109.6° |
| N10 | C54 | C59 | 113.7° | 109.5° |
| N10 | C54 | H97 | 107.8° | 109.3° |
| C54 | N10 | C49 | 120.2° | 115.8° |
| H94 | C53 | H95 | 109.4° | 109.5° |
| H94 | C53 | H96 | 109.5° | 109.4° |
| H95 | C53 | H96 | 109.5° | 109.5° |
| C55 | C54 | C59 | 109.9° | 110.0° |
| C55 | C54 | H97 | 106.9° | 109.1° |
| C54 | C55 | C56 | 117.3° | 109.5° |
| C54 | C55 | H98 | 107.5° | 109.5° |
| C54 | C55 | H99 | 107.5° | 109.5° |
| C59 | C54 | H97 | 107.2° | 109.4° |
| C54 | C59 | O12 | 120.7° | 119.8° |
| C54 | C59 | N11 | 114.0° | 119.8° |
| C56 | C55 | H98 | 107.5° | 109.5° |
| C56 | C55 | H99 | 107.5° | 109.4° |
| C55 | C56 | C57 | 109.3° | 109.4° |
| C55 | C56 | C58 | 111.0° | 109.5° |
| C55 | C56 | H100 | 108.4° | 109.5° |
| H98 | C55 | H99 | 109.4° | 109.4° |
| C57 | C56 | C58 | 111.0° | 109.5° |
| C57 | C56 | H100 | 108.6° | 109.5° |
| C56 | C57 | H101 | 109.5° | 109.5° |
| C56 | C57 | H102 | 109.5° | 109.4° |
| C56 | C57 | H103 | 109.5° | 109.5° |
| C58 | C56 | H100 | 108.5° | 109.5° |
| C56 | C58 | H104 | 109.5° | 109.5° |
| C56 | C58 | H105 | 109.5° | 109.5° |
| C56 | C58 | H106 | 109.5° | 109.5° |
| H101 | C57 | H102 | 109.5° | 109.5° |
| H101 | C57 | H103 | 109.4° | 109.5° |
| H102 | C57 | H103 | 109.5° | 109.4° |
| H104 | C58 | H105 | 109.4° | 109.4° |
| H104 | C58 | H106 | 109.5° | 109.4° |
| H105 | C58 | H106 | 109.5° | 109.5° |
| O12 | C59 | N11 | 122.7° | 120.3° |
| C60 | N11 | H107 | 119.1° | 121.4° |
| N11 | C60 | C61 | 110.3° | 109.2° |
| N11 | C60 | C62 | 109.8° | 109.7° |
| N11 | C60 | H108 | 109.6° | 109.6° |
| C60 | N11 | C59 | 121.9° | 115.8° |
| H107 | N11 | C59 | 119.1° | 122.8° |
| C61 | C60 | C62 | 109.9° | 109.9° |
| C61 | C60 | H108 | 108.7° | 109.2° |
| C60 | C61 | O13 | 119.9° | 119.5° |
| C60 | C61 | N1 | 115.7° | 120.5° |
| C62 | C60 | H108 | 108.6° | 109.2° |
| C60 | C62 | H109 | 109.5° | 109.5° |
| C60 | C62 | H110 | 109.4° | 109.5° |
| C60 | C62 | H111 | 109.4° | 109.5° |
| O13 | C61 | N1 | 123.1° | 120.0° |
| H109 | C62 | H110 | 109.5° | 109.5° |
| H109 | C62 | H111 | 109.5° | 109.5° |
| H110 | C62 | H111 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C61 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 122.3° | 119.0° |
| N1 | C1 | C2 | H2 | 119.3° | 118.9° |
| N1 | C1 | C3 | H2 | 119.6° | 119.8° |
| N1 | C1 | C2 | H3 | 180.0° | 60.0° |
| N1 | C1 | C2 | H4 | 60.0° | 180.0° |
| N1 | C1 | C2 | H5 | 60.0° | 60.0° |
| N1 | C1 | C3 | O1 | 43.9° | 34.8° |
| C1 | N1 | C61 | C60 | 178.4° | 176.2° |
| C1 | N1 | C61 | O13 | 11.2° | 3.9° |
| N1 | C1 | C3 | N2 | 147.8° | 145.1° |
| H1 | N1 | C1 | C2 | 38.0° | 80.3° |
| H1 | N1 | C1 | C3 | 84.0° | 39.2° |
| H1 | N1 | C1 | H2 | 156.8° | 160.2° |
| H1 | N1 | C61 | C60 | 1.6° | 4.3° |
| H1 | N1 | C61 | O13 | 168.8° | 175.6° |
| C2 | C1 | C3 | H2 | 118.2° | 121.5° |
| C1 | C2 | H3 | H4 | 120.0° | 120.1° |
| C1 | C2 | H3 | H5 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | C3 | O1 | 78.3° | 84.0° |
| C2 | C1 | N1 | C61 | 142.0° | 99.2° |
| C2 | C1 | C3 | N2 | 90.0° | 96.2° |
| C3 | C1 | C2 | H3 | 57.7° | 179.0° |
| C3 | C1 | C2 | H4 | 62.3° | 61.0° |
| C3 | C1 | C2 | H5 | 177.7° | 59.1° |
| C1 | C3 | O1 | N2 | 167.5° | 179.9° |
| C1 | C3 | N2 | C4 | 6.6° | 170.6° |
| C1 | C3 | N2 | C5 | 179.7° | 9.8° |
| C3 | C1 | N1 | C61 | 96.0° | 141.3° |
| H2 | C1 | C2 | H3 | 60.7° | 58.9° |
| H2 | C1 | C2 | H4 | 179.3° | 61.1° |
| H2 | C1 | C2 | H5 | 59.3° | 178.9° |
| H2 | C1 | C3 | O1 | 163.4° | 154.5° |
| H2 | C1 | N1 | C61 | 23.2° | 20.3° |
| H2 | C1 | C3 | N2 | 28.2° | 25.3° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| O1 | C3 | N2 | C4 | 174.5° | 9.2° |
| O1 | C3 | N2 | C5 | 12.4° | 170.4° |
| C4 | N2 | C5 | C3 | 173.7° | 179.6° |
| N2 | C4 | H6 | H7 | 120.0° | 120.0° |
| N2 | C4 | H6 | H8 | 120.0° | 120.0° |
| N2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | N2 | C5 | C6 | 67.6° | 33.9° |
| C4 | N2 | C5 | C10 | 56.9° | 84.9° |
| C4 | N2 | C5 | H9 | 175.6° | 153.1° |
| C5 | N2 | C4 | H6 | 180.0° | 179.6° |
| C5 | N2 | C4 | H7 | 60.0° | 59.6° |
| C5 | N2 | C4 | H8 | 60.0° | 60.4° |
| N2 | C5 | C6 | C10 | 126.2° | 118.7° |
| N2 | C5 | C6 | H9 | 117.3° | 119.6° |
| N2 | C5 | C10 | H9 | 119.2° | 121.1° |
| N2 | C5 | C6 | C7 | 58.8° | 65.0° |
| N2 | C5 | C6 | H10 | 62.4° | 55.0° |
| N2 | C5 | C6 | H11 | 179.9° | 175.0° |
| N2 | C5 | C10 | O2 | 104.3° | 33.5° |
| N2 | C5 | C10 | N3 | 70.2° | 148.1° |
| H6 | C4 | H7 | H8 | 120.0° | 120.1° |
| H6 | C4 | N2 | C3 | 6.6° | 0.0° |
| H7 | C4 | N2 | C3 | 113.4° | 120.0° |
| H8 | C4 | N2 | C3 | 126.7° | 120.0° |
| C6 | C5 | C10 | H9 | 116.5° | 120.7° |
| C5 | C6 | C7 | H10 | 121.2° | 120.0° |
| C5 | C6 | C7 | H11 | 121.2° | 120.0° |
| C5 | C6 | H10 | H11 | 116.4° | 120.0° |
| C5 | C6 | C7 | C8 | 166.9° | 175.0° |
| C5 | C6 | C7 | C9 | 69.8° | 65.0° |
| C5 | C6 | C7 | H12 | 49.3° | 55.1° |
| C6 | C5 | C10 | O2 | 20.1° | 84.6° |
| C6 | C5 | N2 | C3 | 118.6° | 146.5° |
| C6 | C5 | C10 | N3 | 165.5° | 93.7° |
| C10 | C5 | C6 | C7 | 175.0° | 176.3° |
| C10 | C5 | C6 | H10 | 63.8° | 63.7° |
| C10 | C5 | C6 | H11 | 53.8° | 56.3° |
| C5 | C10 | O2 | N3 | 174.2° | 178.4° |
| C5 | C10 | N3 | C11 | 7.6° | 16.3° |
| C5 | C10 | N3 | C12 | 178.8° | 163.5° |
| C10 | C5 | N2 | C3 | 116.8° | 94.7° |
| H9 | C5 | C6 | C7 | 58.5° | 54.5° |
| H9 | C5 | C6 | H10 | 179.6° | 174.5° |
| H9 | C5 | C6 | H11 | 62.7° | 65.4° |
| H9 | C5 | C10 | O2 | 136.6° | 154.7° |
| H9 | C5 | N2 | C3 | 1.9° | 27.3° |
| H9 | C5 | C10 | N3 | 49.0° | 26.9° |
| C7 | C6 | H10 | H11 | 116.3° | 120.0° |
| C6 | C7 | C8 | C9 | 123.5° | 120.0° |
| C6 | C7 | C8 | H12 | 117.4° | 120.0° |
| C6 | C7 | C9 | H12 | 119.0° | 120.0° |
| C6 | C7 | C8 | H13 | 180.0° | 60.0° |
| C6 | C7 | C8 | H14 | 60.0° | 180.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| C6 | C7 | C9 | H16 | 180.0° | 60.1° |
| C6 | C7 | C9 | H17 | 60.0° | 180.0° |
| C6 | C7 | C9 | H18 | 60.0° | 60.0° |
| H10 | C6 | C7 | C8 | 45.7° | 55.0° |
| H10 | C6 | C7 | C9 | 169.0° | 175.0° |
| H10 | C6 | C7 | H12 | 71.9° | 64.9° |
| H11 | C6 | C7 | C8 | 72.0° | 65.0° |
| H11 | C6 | C7 | C9 | 51.4° | 55.0° |
| H11 | C6 | C7 | H12 | 170.4° | 175.0° |
| C8 | C7 | C9 | H12 | 119.2° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | C9 | H16 | 58.2° | 180.0° |
| C8 | C7 | C9 | H17 | 61.8° | 60.0° |
| C8 | C7 | C9 | H18 | 178.2° | 60.0° |
| C9 | C7 | C8 | H13 | 56.4° | 60.0° |
| C9 | C7 | C8 | H14 | 176.5° | 60.0° |
| C9 | C7 | C8 | H15 | 63.6° | 180.0° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 120.1° |
| C7 | C9 | H17 | H18 | 120.0° | 120.1° |
| H12 | C7 | C8 | H13 | 62.6° | 180.0° |
| H12 | C7 | C8 | H14 | 57.4° | 60.0° |
| H12 | C7 | C8 | H15 | 177.4° | 60.0° |
| H12 | C7 | C9 | H16 | 61.0° | 60.0° |
| H12 | C7 | C9 | H17 | 179.0° | 60.0° |
| H12 | C7 | C9 | H18 | 59.0° | 180.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 119.9° |
| O2 | C10 | N3 | C11 | 178.2° | 162.1° |
| O2 | C10 | N3 | C12 | 6.9° | 18.1° |
| C11 | N3 | C12 | C10 | 171.8° | 179.8° |
| N3 | C11 | H19 | H20 | 120.0° | 120.1° |
| N3 | C11 | H19 | H21 | 120.0° | 120.0° |
| N3 | C11 | H20 | H21 | 120.0° | 120.0° |
| C11 | N3 | C12 | C13 | 58.7° | 119.4° |
| C11 | N3 | C12 | C17 | 63.9° | 0.9° |
| C11 | N3 | C12 | H22 | 176.9° | 122.2° |
| C12 | N3 | C11 | H19 | 180.0° | 179.8° |
| C12 | N3 | C11 | H20 | 60.0° | 60.2° |
| C12 | N3 | C11 | H21 | 60.0° | 59.8° |
| N3 | C12 | C13 | C17 | 124.6° | 119.8° |
| N3 | C12 | C13 | H22 | 118.7° | 118.6° |
| N3 | C12 | C17 | H22 | 119.7° | 121.4° |
| N3 | C12 | C13 | C14 | 65.4° | 54.6° |
| N3 | C12 | C13 | H23 | 56.0° | 65.3° |
| N3 | C12 | C13 | H24 | 173.1° | 174.6° |
| N3 | C12 | C17 | O3 | 2.1° | 64.6° |
| N3 | C12 | C17 | N4 | 164.1° | 117.3° |
| H19 | C11 | H20 | H21 | 120.0° | 119.9° |
| H19 | C11 | N3 | C10 | 8.3° | 0.0° |
| H20 | C11 | N3 | C10 | 111.6° | 120.0° |
| H21 | C11 | N3 | C10 | 128.4° | 120.0° |
| C13 | C12 | C17 | H22 | 116.7° | 119.4° |
| C12 | C13 | C14 | H23 | 121.4° | 119.9° |
| C12 | C13 | C14 | H24 | 121.4° | 120.0° |
| C12 | C13 | H23 | H24 | 115.4° | 120.0° |
| C12 | C13 | C14 | C15 | 170.2° | 167.7° |
| C12 | C13 | C14 | C16 | 47.4° | 47.7° |
| C12 | C13 | C14 | H25 | 71.7° | 72.3° |
| C13 | C12 | C17 | O3 | 121.5° | 54.5° |
| C13 | C12 | N3 | C10 | 129.5° | 60.4° |
| C13 | C12 | C17 | N4 | 72.3° | 123.6° |
| C17 | C12 | C13 | C14 | 169.9° | 174.4° |
| C17 | C12 | C13 | H23 | 68.6° | 54.5° |
| C17 | C12 | C13 | H24 | 48.5° | 65.6° |
| C12 | C17 | O3 | N4 | 165.6° | 178.2° |
| C12 | C17 | N4 | C18 | 11.0° | 0.5° |
| C12 | C17 | N4 | C19 | 178.0° | 179.4° |
| C17 | C12 | N3 | C10 | 108.0° | 178.9° |
| H22 | C12 | C13 | C14 | 53.3° | 64.1° |
| H22 | C12 | C13 | H23 | 174.7° | 176.0° |
| H22 | C12 | C13 | H24 | 68.2° | 56.0° |
| H22 | C12 | C17 | O3 | 121.8° | 173.9° |
| H22 | C12 | N3 | C10 | 11.3° | 57.9° |
| H22 | C12 | C17 | N4 | 44.4° | 4.2° |
| C14 | C13 | H23 | H24 | 115.5° | 120.1° |
| C13 | C14 | C15 | C16 | 122.4° | 120.0° |
| C13 | C14 | C15 | H25 | 118.0° | 120.1° |
| C13 | C14 | C16 | H25 | 119.1° | 120.1° |
| C13 | C14 | C15 | H26 | 180.0° | 65.3° |
| C13 | C14 | C15 | H27 | 60.0° | 174.7° |
| C13 | C14 | C15 | H28 | 60.0° | 54.7° |
| C13 | C14 | C16 | H29 | 180.0° | 69.8° |
| C13 | C14 | C16 | H30 | 60.0° | 50.1° |
| C13 | C14 | C16 | H31 | 60.0° | 170.2° |
| H23 | C13 | C14 | C15 | 68.4° | 72.4° |
| H23 | C13 | C14 | C16 | 168.8° | 167.6° |
| H23 | C13 | C14 | H25 | 49.7° | 47.6° |
| H24 | C13 | C14 | C15 | 48.8° | 47.6° |
| H24 | C13 | C14 | C16 | 74.0° | 72.3° |
| H24 | C13 | C14 | H25 | 166.9° | 167.7° |
| C15 | C14 | C16 | H25 | 119.6° | 120.0° |
| C14 | C15 | H26 | H27 | 120.0° | 120.0° |
| C14 | C15 | H26 | H28 | 120.0° | 120.0° |
| C14 | C15 | H27 | H28 | 120.0° | 120.0° |
| C15 | C14 | C16 | H29 | 58.7° | 50.1° |
| C15 | C14 | C16 | H30 | 61.3° | 170.1° |
| C15 | C14 | C16 | H31 | 178.7° | 69.9° |
| C16 | C14 | C15 | H26 | 57.6° | 54.7° |
| C16 | C14 | C15 | H27 | 177.6° | 65.3° |
| C16 | C14 | C15 | H28 | 62.4° | 174.7° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| C14 | C16 | H29 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.1° |
| H25 | C14 | C15 | H26 | 62.0° | 174.6° |
| H25 | C14 | C15 | H27 | 58.0° | 54.7° |
| H25 | C14 | C15 | H28 | 178.0° | 65.4° |
| H25 | C14 | C16 | H29 | 60.9° | 170.1° |
| H25 | C14 | C16 | H30 | 179.1° | 69.9° |
| H25 | C14 | C16 | H31 | 59.2° | 50.1° |
| H26 | C15 | H27 | H28 | 120.0° | 120.0° |
| H29 | C16 | H30 | H31 | 120.0° | 119.9° |
| O3 | C17 | N4 | C18 | 155.0° | 177.6° |
| O3 | C17 | N4 | C19 | 16.1° | 2.5° |
| C18 | N4 | C19 | C17 | 172.1° | 179.9° |
| N4 | C18 | H32 | H33 | 120.0° | 120.0° |
| N4 | C18 | H32 | H34 | 120.0° | 119.9° |
| N4 | C18 | H33 | H34 | 120.0° | 120.0° |
| C18 | N4 | C19 | C20 | 61.6° | 15.0° |
| C18 | N4 | C19 | C23 | 63.7° | 103.5° |
| C18 | N4 | C19 | H35 | 179.6° | 133.2° |
| C19 | N4 | C18 | H32 | 180.0° | 174.7° |
| C19 | N4 | C18 | H33 | 60.0° | 54.6° |
| C19 | N4 | C18 | H34 | 60.0° | 65.4° |
| N4 | C19 | C20 | C23 | 123.9° | 118.9° |
| N4 | C19 | C20 | H35 | 118.8° | 118.6° |
| N4 | C19 | C23 | H35 | 117.4° | 121.5° |
| N4 | C19 | C20 | C21 | 166.7° | 176.9° |
| N4 | C19 | C20 | C22 | 47.7° | 56.9° |
| N4 | C19 | C20 | H36 | 73.0° | 63.0° |
| N4 | C19 | C23 | O4 | 97.6° | 69.8° |
| N4 | C19 | C23 | N5 | 70.4° | 110.6° |
| H32 | C18 | H33 | H34 | 120.0° | 120.0° |
| H32 | C18 | N4 | C17 | 8.5° | 5.4° |
| H33 | C18 | N4 | C17 | 128.6° | 125.4° |
| H34 | C18 | N4 | C17 | 111.5° | 114.6° |
| C20 | C19 | C23 | H35 | 117.2° | 120.3° |
| C19 | C20 | C21 | C22 | 121.2° | 120.0° |
| C19 | C20 | C21 | H36 | 119.8° | 120.0° |
| C19 | C20 | C22 | H36 | 120.5° | 119.9° |
| C19 | C20 | C21 | H37 | 180.0° | 60.0° |
| C19 | C20 | C21 | H38 | 60.0° | 180.0° |
| C19 | C20 | C21 | H39 | 60.0° | 60.0° |
| C19 | C20 | C22 | H40 | 180.0° | 65.0° |
| C19 | C20 | C22 | H41 | 60.0° | 175.0° |
| C19 | C20 | C22 | H42 | 60.0° | 55.0° |
| C20 | C19 | C23 | O4 | 27.9° | 48.3° |
| C20 | C19 | N4 | C17 | 110.6° | 164.9° |
| C20 | C19 | C23 | N5 | 164.2° | 131.2° |
| C23 | C19 | C20 | C21 | 69.4° | 64.2° |
| C23 | C19 | C20 | C22 | 171.5° | 175.8° |
| C23 | C19 | C20 | H36 | 50.9° | 55.9° |
| C19 | C23 | O4 | N5 | 167.4° | 179.5° |
| C19 | C23 | N5 | C24 | 16.4° | 6.2° |
| C19 | C23 | N5 | C25 | 178.7° | 172.4° |
| C23 | C19 | N4 | C17 | 124.2° | 76.5° |
| H35 | C19 | C20 | C21 | 47.9° | 58.3° |
| H35 | C19 | C20 | C22 | 71.1° | 61.7° |
| H35 | C19 | C20 | H36 | 168.2° | 178.4° |
| H35 | C19 | C23 | O4 | 145.1° | 168.6° |
| H35 | C19 | N4 | C17 | 7.4° | 46.7° |
| H35 | C19 | C23 | N5 | 47.0° | 10.9° |
| C21 | C20 | C22 | H36 | 119.3° | 120.1° |
| C20 | C21 | H37 | H38 | 120.0° | 120.0° |
| C20 | C21 | H37 | H39 | 120.0° | 120.0° |
| C20 | C21 | H38 | H39 | 120.0° | 120.0° |
| C21 | C20 | C22 | H40 | 59.8° | 175.0° |
| C21 | C20 | C22 | H41 | 60.2° | 55.0° |
| C21 | C20 | C22 | H42 | 179.8° | 65.0° |
| C22 | C20 | C21 | H37 | 58.8° | 60.0° |
| C22 | C20 | C21 | H38 | 178.9° | 60.0° |
| C22 | C20 | C21 | H39 | 61.2° | 180.0° |
| C20 | C22 | H40 | H41 | 120.0° | 120.0° |
| C20 | C22 | H40 | H42 | 120.0° | 120.0° |
| C20 | C22 | H41 | H42 | 120.0° | 120.0° |
| H36 | C20 | C21 | H37 | 60.2° | 180.0° |
| H36 | C20 | C21 | H38 | 59.9° | 60.0° |
| H36 | C20 | C21 | H39 | 179.8° | 60.0° |
| H36 | C20 | C22 | H40 | 59.5° | 54.9° |
| H36 | C20 | C22 | H41 | 179.5° | 65.1° |
| H36 | C20 | C22 | H42 | 60.5° | 174.9° |
| H37 | C21 | H38 | H39 | 120.0° | 120.0° |
| H40 | C22 | H41 | H42 | 120.0° | 119.9° |
| O4 | C23 | N5 | C24 | 175.7° | 173.3° |
| O4 | C23 | N5 | C25 | 10.7° | 8.1° |
| C24 | N5 | C25 | C23 | 165.2° | 178.7° |
| N5 | C24 | H43 | H44 | 120.0° | 120.0° |
| N5 | C24 | H43 | H45 | 120.0° | 120.0° |
| N5 | C24 | H44 | H45 | 120.0° | 120.0° |
| C24 | N5 | C25 | C26 | 69.3° | 32.2° |
| C24 | N5 | C25 | C27 | 56.9° | 89.1° |
| C24 | N5 | C25 | H46 | 173.3° | 152.1° |
| C25 | N5 | C24 | H43 | 180.0° | 178.6° |
| C25 | N5 | C24 | H44 | 60.0° | 61.4° |
| C25 | N5 | C24 | H45 | 60.0° | 58.6° |
| N5 | C25 | C26 | C27 | 127.3° | 120.0° |
| N5 | C25 | C26 | H46 | 117.8° | 119.8° |
| N5 | C25 | C27 | H46 | 117.1° | 118.8° |
| N5 | C25 | C26 | O5 | 0.1° | 38.2° |
| N5 | C25 | C27 | O6 | 71.2° | 60.5° |
| N5 | C25 | C27 | C28 | 50.9° | 59.5° |
| N5 | C25 | C27 | H47 | 169.4° | 179.4° |
| N5 | C25 | C26 | N6 | 171.3° | 143.4° |
| H43 | C24 | H44 | H45 | 120.0° | 120.0° |
| H43 | C24 | N5 | C23 | 15.0° | 0.0° |
| H44 | C24 | N5 | C23 | 105.0° | 120.0° |
| H45 | C24 | N5 | C23 | 135.0° | 120.0° |
| C26 | C25 | C27 | H46 | 115.2° | 120.2° |
| C25 | C26 | O5 | N6 | 170.6° | 178.4° |
| C26 | C25 | C27 | O6 | 56.6° | 60.4° |
| C26 | C25 | C27 | C28 | 178.6° | 179.6° |
| C26 | C25 | C27 | H47 | 62.9° | 59.6° |
| C25 | C26 | N6 | C34 | 179.5° | 170.7° |
| C25 | C26 | N6 | H60 | 0.5° | 10.9° |
| C26 | C25 | N5 | C23 | 95.9° | 149.0° |
| C27 | C25 | C26 | O5 | 127.4° | 158.3° |
| C25 | C27 | O6 | C28 | 123.2° | 120.0° |
| C25 | C27 | O6 | H47 | 118.4° | 120.0° |
| C25 | C27 | C28 | H47 | 118.5° | 120.0° |
| C25 | C27 | O6 | H48 | 168.2° | 60.0° |
| C25 | C27 | C28 | C29 | 52.4° | 60.4° |
| C25 | C27 | C28 | C30 | 174.6° | 179.6° |
| C25 | C27 | C28 | H49 | 66.7° | 59.6° |
| C27 | C25 | N5 | C23 | 137.9° | 89.6° |
| C27 | C25 | C26 | N6 | 61.4° | 23.3° |
| H46 | C25 | C26 | O5 | 117.7° | 81.6° |
| H46 | C25 | C27 | O6 | 171.7° | 179.4° |
| H46 | C25 | C27 | C28 | 66.2° | 59.4° |
| H46 | C25 | C27 | H47 | 52.3° | 60.6° |
| H46 | C25 | N5 | C23 | 21.5° | 29.2° |
| H46 | C25 | C26 | N6 | 53.5° | 96.8° |
| O5 | C26 | N6 | C34 | 8.5° | 10.9° |
| O5 | C26 | N6 | H60 | 171.5° | 167.5° |
| O6 | C27 | C28 | H47 | 119.4° | 120.0° |
| O6 | C27 | C28 | C29 | 174.6° | 179.6° |
| O6 | C27 | C28 | C30 | 63.3° | 59.6° |
| O6 | C27 | C28 | H49 | 55.5° | 60.4° |
| C28 | C27 | O6 | H48 | 68.6° | 60.0° |
| C27 | C28 | C29 | C30 | 121.9° | 120.1° |
| C27 | C28 | C29 | H49 | 118.9° | 120.0° |
| C27 | C28 | C30 | H49 | 118.5° | 120.0° |
| C27 | C28 | C29 | H50 | 180.0° | 64.5° |
| C27 | C28 | C29 | H51 | 60.0° | 175.5° |
| C27 | C28 | C29 | H52 | 60.0° | 55.6° |
| C27 | C28 | C30 | C31 | 62.5° | 176.7° |
| C27 | C28 | C30 | H53 | 176.6° | 56.7° |
| C27 | C28 | C30 | H54 | 58.4° | 63.3° |
| H47 | C27 | O6 | H48 | 49.8° | 180.0° |
| H47 | C27 | C28 | C29 | 66.1° | 59.6° |
| H47 | C27 | C28 | C30 | 56.1° | 60.4° |
| H47 | C27 | C28 | H49 | 174.9° | 179.6° |
| C29 | C28 | C30 | H49 | 119.1° | 120.0° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.0° | 120.1° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| C29 | C28 | C30 | C31 | 59.9° | 63.3° |
| C29 | C28 | C30 | H53 | 61.1° | 176.7° |
| C29 | C28 | C30 | H54 | 179.2° | 56.8° |
| C30 | C28 | C29 | H50 | 58.1° | 175.4° |
| C30 | C28 | C29 | H51 | 61.9° | 55.5° |
| C30 | C28 | C29 | H52 | 178.2° | 64.5° |
| C28 | C30 | C31 | H53 | 120.9° | 120.0° |
| C28 | C30 | C31 | H54 | 120.9° | 120.0° |
| C28 | C30 | H53 | H54 | 117.2° | 119.9° |
| C28 | C30 | C31 | C32 | 121.8° | 116.3° |
| C28 | C30 | C31 | H55 | 58.2° | 63.7° |
| H49 | C28 | C29 | H50 | 61.1° | 55.4° |
| H49 | C28 | C29 | H51 | 178.9° | 64.5° |
| H49 | C28 | C29 | H52 | 59.0° | 175.5° |
| H49 | C28 | C30 | C31 | 179.0° | 56.7° |
| H49 | C28 | C30 | H53 | 58.1° | 63.3° |
| H49 | C28 | C30 | H54 | 60.1° | 176.7° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
| C31 | C30 | H53 | H54 | 117.1° | 120.1° |
| C30 | C31 | C32 | H55 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 179.8° | 171.8° |
| C30 | C31 | C32 | H56 | 0.2° | 8.3° |
| H53 | C30 | C31 | C32 | 117.3° | 3.7° |
| H53 | C30 | C31 | H55 | 62.7° | 176.3° |
| H54 | C30 | C31 | C32 | 0.9° | 123.7° |
| H54 | C30 | C31 | H55 | 179.1° | 56.3° |
| C31 | C32 | C33 | H56 | 180.0° | 179.9° |
| C31 | C32 | C33 | H57 | 180.0° | 65.3° |
| C31 | C32 | C33 | H58 | 60.0° | 54.7° |
| C31 | C32 | C33 | H59 | 60.0° | 174.7° |
| H55 | C31 | C32 | C33 | 0.2° | 8.2° |
| H55 | C31 | C32 | H56 | 179.8° | 171.8° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 120.0° |
| C32 | C33 | H58 | H59 | 120.0° | 120.0° |
| H56 | C32 | C33 | H57 | 0.0° | 114.7° |
| H56 | C32 | C33 | H58 | 120.0° | 125.4° |
| H56 | C32 | C33 | H59 | 120.0° | 5.4° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
| C34 | N6 | H60 | C26 | 180.0° | 178.4° |
| N6 | C34 | C35 | C36 | 125.7° | 118.6° |
| N6 | C34 | C35 | H61 | 118.4° | 121.7° |
| N6 | C34 | C36 | H61 | 117.5° | 120.0° |
| N6 | C34 | C35 | O7 | 99.2° | 84.5° |
| N6 | C34 | C36 | O8 | 66.6° | 170.0° |
| N6 | C34 | C36 | C37 | 53.4° | 50.0° |
| N6 | C34 | C36 | H62 | 172.4° | 69.9° |
| N6 | C34 | C35 | N7 | 90.8° | 95.9° |
| H60 | N6 | C34 | C35 | 56.2° | 15.0° |
| H60 | N6 | C34 | C36 | 69.2° | 103.2° |
| H60 | N6 | C34 | H61 | 174.1° | 137.6° |
| C35 | C34 | C36 | H61 | 116.2° | 121.4° |
| C34 | C35 | O7 | N7 | 169.4° | 179.7° |
| C35 | C34 | C36 | O8 | 59.7° | 51.5° |
| C35 | C34 | C36 | C37 | 179.7° | 68.5° |
| C35 | C34 | C36 | H62 | 61.3° | 171.5° |
| C34 | C35 | N7 | C38 | 179.6° | 175.5° |
| C34 | C35 | N7 | C40 | 0.9° | 5.0° |
| C35 | C34 | N6 | C26 | 123.8° | 166.5° |
| C36 | C34 | C35 | O7 | 26.4° | 34.1° |
| C34 | C36 | O8 | C37 | 120.9° | 120.0° |
| C34 | C36 | O8 | H62 | 120.0° | 120.1° |
| C34 | C36 | C37 | H62 | 118.7° | 120.0° |
| C34 | C36 | O8 | H63 | 43.1° | 60.0° |
| C34 | C36 | C37 | H64 | 180.0° | 55.0° |
| C34 | C36 | C37 | H65 | 60.0° | 175.0° |
| C34 | C36 | C37 | H66 | 60.0° | 65.0° |
| C36 | C34 | N6 | C26 | 110.8° | 75.2° |
| C36 | C34 | C35 | N7 | 143.6° | 145.6° |
| H61 | C34 | C35 | O7 | 142.4° | 153.8° |
| H61 | C34 | C36 | O8 | 175.9° | 70.0° |
| H61 | C34 | C36 | C37 | 64.1° | 170.0° |
| H61 | C34 | C36 | H62 | 54.9° | 50.1° |
| H61 | C34 | N6 | C26 | 6.0° | 43.9° |
| H61 | C34 | C35 | N7 | 27.6° | 25.9° |
| O7 | C35 | N7 | C38 | 10.7° | 4.1° |
| O7 | C35 | N7 | C40 | 168.9° | 175.4° |
| O8 | C36 | C37 | H62 | 119.9° | 120.0° |
| O8 | C36 | C37 | H64 | 58.5° | 65.0° |
| O8 | C36 | C37 | H65 | 178.5° | 55.0° |
| O8 | C36 | C37 | H66 | 61.5° | 175.0° |
| C37 | C36 | O8 | H63 | 163.9° | 60.0° |
| C36 | C37 | H64 | H65 | 120.0° | 120.0° |
| C36 | C37 | H64 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H66 | 120.0° | 120.0° |
| H62 | C36 | O8 | H63 | 76.9° | 180.0° |
| H62 | C36 | C37 | H64 | 61.4° | 175.0° |
| H62 | C36 | C37 | H65 | 58.7° | 65.0° |
| H62 | C36 | C37 | H66 | 178.6° | 55.0° |
| H64 | C37 | H65 | H66 | 120.0° | 120.0° |
| C38 | N7 | C40 | C35 | 179.6° | 179.5° |
| N7 | C38 | C39 | H67 | 120.2° | 118.1° |
| N7 | C38 | C39 | H68 | 120.2° | 122.9° |
| N7 | C38 | H67 | H68 | 119.4° | 118.9° |
| N7 | C38 | C39 | O9 | 111.3° | 86.5° |
| C38 | N7 | C40 | H69 | 180.0° | 179.5° |
| C38 | N7 | C40 | H70 | 60.0° | 60.5° |
| C38 | N7 | C40 | H71 | 60.0° | 59.5° |
| N7 | C38 | C39 | N8 | 66.8° | 95.0° |
| C40 | N7 | C38 | C39 | 46.3° | 1.3° |
| C40 | N7 | C38 | H67 | 73.9° | 117.3° |
| C40 | N7 | C38 | H68 | 166.5° | 125.1° |
| N7 | C40 | H69 | H70 | 120.0° | 120.0° |
| N7 | C40 | H69 | H71 | 120.0° | 120.0° |
| N7 | C40 | H70 | H71 | 120.0° | 120.0° |
| C39 | C38 | H67 | H68 | 119.4° | 121.3° |
| C38 | C39 | O9 | N8 | 178.0° | 178.6° |
| C38 | C39 | N8 | C41 | 13.7° | 8.8° |
| C38 | C39 | N8 | C42 | 177.9° | 170.0° |
| C39 | C38 | N7 | C35 | 134.1° | 178.2° |
| H67 | C38 | C39 | O9 | 8.9° | 31.6° |
| H67 | C38 | N7 | C35 | 105.7° | 63.2° |
| H67 | C38 | C39 | N8 | 173.0° | 147.0° |
| H68 | C38 | C39 | O9 | 128.5° | 150.6° |
| H68 | C38 | N7 | C35 | 13.9° | 54.4° |
| H68 | C38 | C39 | N8 | 53.4° | 27.9° |
| O9 | C39 | N8 | C41 | 168.3° | 172.7° |
| O9 | C39 | N8 | C42 | 0.2° | 8.5° |
| H69 | C40 | H70 | H71 | 120.0° | 120.0° |
| H69 | C40 | N7 | C35 | 0.4° | 0.0° |
| H70 | C40 | N7 | C35 | 119.6° | 120.0° |
| H71 | C40 | N7 | C35 | 120.5° | 120.0° |
| C41 | N8 | C42 | C39 | 169.2° | 178.9° |
| N8 | C41 | H72 | H73 | 120.0° | 120.0° |
| N8 | C41 | H72 | H74 | 120.0° | 120.0° |
| N8 | C41 | H73 | H74 | 120.0° | 120.0° |
| C41 | N8 | C42 | C43 | 44.1° | 42.2° |
| C41 | N8 | C42 | C47 | 78.6° | 78.8° |
| C41 | N8 | C42 | H75 | 162.6° | 161.6° |
| C42 | N8 | C41 | H72 | 180.0° | 176.2° |
| C42 | N8 | C41 | H73 | 60.0° | 56.2° |
| C42 | N8 | C41 | H74 | 60.0° | 63.8° |
| N8 | C42 | C43 | C47 | 124.0° | 120.3° |
| N8 | C42 | C43 | H75 | 119.1° | 119.1° |
| N8 | C42 | C47 | H75 | 119.4° | 119.2° |
| N8 | C42 | C43 | C44 | 112.7° | 65.0° |
| N8 | C42 | C43 | H76 | 8.3° | 55.0° |
| N8 | C42 | C43 | H77 | 126.2° | 175.0° |
| N8 | C42 | C47 | O10 | 91.3° | 52.6° |
| N8 | C42 | C47 | N9 | 81.7° | 130.2° |
| H72 | C41 | H73 | H74 | 120.0° | 120.0° |
| H72 | C41 | N8 | C39 | 11.0° | 5.0° |
| H73 | C41 | N8 | C39 | 131.0° | 125.0° |
| H74 | C41 | N8 | C39 | 109.0° | 115.0° |
| C43 | C42 | C47 | H75 | 117.0° | 120.5° |
| C42 | C43 | C44 | H76 | 121.1° | 120.0° |
| C42 | C43 | C44 | H77 | 121.1° | 120.0° |
| C42 | C43 | H76 | H77 | 116.6° | 119.9° |
| C42 | C43 | C44 | C45 | 159.8° | 175.0° |
| C42 | C43 | C44 | C46 | 39.6° | 65.0° |
| C42 | C43 | C44 | H78 | 81.0° | 55.0° |
| C43 | C42 | C47 | O10 | 32.3° | 172.9° |
| C43 | C42 | N8 | C39 | 125.1° | 136.7° |
| C43 | C42 | C47 | N9 | 154.6° | 9.8° |
| C47 | C42 | C43 | C44 | 123.3° | 174.7° |
| C47 | C42 | C43 | H76 | 115.6° | 65.3° |
| C47 | C42 | C43 | H77 | 2.2° | 54.6° |
| C42 | C47 | O10 | N9 | 172.7° | 177.3° |
| C42 | C47 | N9 | C48 | 179.6° | 114.6° |
| C42 | C47 | N9 | H85 | 0.4° | 65.8° |
| C47 | C42 | N8 | C39 | 112.2° | 102.4° |
| H75 | C42 | C43 | C44 | 6.4° | 54.1° |
| H75 | C42 | C43 | H76 | 127.4° | 174.1° |
| H75 | C42 | C43 | H77 | 114.7° | 65.9° |
| H75 | C42 | C47 | O10 | 149.3° | 66.6° |
| H75 | C42 | N8 | C39 | 6.5° | 17.2° |
| H75 | C42 | C47 | N9 | 37.6° | 110.7° |
| C44 | C43 | H76 | H77 | 116.6° | 120.1° |
| C43 | C44 | C45 | C46 | 120.9° | 120.0° |
| C43 | C44 | C45 | H78 | 119.2° | 120.0° |
| C43 | C44 | C46 | H78 | 120.5° | 120.0° |
| C43 | C44 | C45 | H79 | 180.0° | 60.0° |
| C43 | C44 | C45 | H80 | 60.0° | 180.0° |
| C43 | C44 | C45 | H81 | 60.0° | 60.0° |
| C43 | C44 | C46 | H82 | 180.0° | 60.0° |
| C43 | C44 | C46 | H83 | 60.0° | 180.0° |
| C43 | C44 | C46 | H84 | 60.0° | 60.0° |
| H76 | C43 | C44 | C45 | 79.1° | 55.0° |
| H76 | C43 | C44 | C46 | 160.6° | 175.0° |
| H76 | C43 | C44 | H78 | 40.1° | 65.0° |
| H77 | C43 | C44 | C45 | 38.8° | 65.0° |
| H77 | C43 | C44 | C46 | 81.5° | 54.9° |
| H77 | C43 | C44 | H78 | 158.0° | 175.0° |
| C45 | C44 | C46 | H78 | 119.8° | 120.0° |
| C44 | C45 | H79 | H80 | 120.0° | 120.0° |
| C44 | C45 | H79 | H81 | 120.0° | 120.0° |
| C44 | C45 | H80 | H81 | 120.0° | 120.0° |
| C45 | C44 | C46 | H82 | 60.3° | 179.9° |
| C45 | C44 | C46 | H83 | 59.7° | 60.0° |
| C45 | C44 | C46 | H84 | 179.7° | 60.0° |
| C46 | C44 | C45 | H79 | 59.1° | 60.0° |
| C46 | C44 | C45 | H80 | 179.1° | 60.0° |
| C46 | C44 | C45 | H81 | 60.9° | 180.0° |
| C44 | C46 | H82 | H83 | 120.0° | 120.0° |
| C44 | C46 | H82 | H84 | 120.0° | 120.0° |
| C44 | C46 | H83 | H84 | 120.0° | 120.0° |
| H78 | C44 | C45 | H79 | 60.7° | NaN° |
| H78 | C44 | C45 | H80 | 59.3° | 60.0° |
| H78 | C44 | C45 | H81 | 179.2° | 60.0° |
| H78 | C44 | C46 | H82 | 59.5° | 60.0° |
| H78 | C44 | C46 | H83 | 179.5° | 60.0° |
| H78 | C44 | C46 | H84 | 60.5° | 180.0° |
| H79 | C45 | H80 | H81 | 120.0° | 120.0° |
| H82 | C46 | H83 | H84 | 120.0° | 120.0° |
| O10 | C47 | N9 | C48 | 7.5° | 68.2° |
| O10 | C47 | N9 | H85 | 172.5° | 111.5° |
| C48 | N9 | H85 | C47 | 180.0° | 179.7° |
| N9 | C48 | C49 | C50 | 122.7° | 121.9° |
| N9 | C48 | C49 | H86 | 119.4° | 118.9° |
| N9 | C48 | C50 | H86 | 120.2° | 119.2° |
| N9 | C48 | C49 | O11 | 48.7° | 38.2° |
| N9 | C48 | C50 | C51 | 178.4° | 70.0° |
| N9 | C48 | C50 | C52 | 56.0° | 170.0° |
| N9 | C48 | C50 | H87 | 62.9° | 50.0° |
| N9 | C48 | C49 | N10 | 128.0° | 141.7° |
| H85 | N9 | C48 | C49 | 117.8° | 37.8° |
| H85 | N9 | C48 | C50 | 3.6° | 158.5° |
| H85 | N9 | C48 | H86 | 123.3° | 82.2° |
| C49 | C48 | C50 | H86 | 117.9° | 120.1° |
| C48 | C49 | O11 | N10 | 176.6° | 179.9° |
| C49 | C48 | C50 | C51 | 59.8° | 50.7° |
| C49 | C48 | C50 | C52 | 177.9° | 69.3° |
| C49 | C48 | C50 | H87 | 59.0° | 170.7° |
| C48 | C49 | N10 | C53 | 2.7° | 1.8° |
| C48 | C49 | N10 | C54 | 178.5° | 177.6° |
| C49 | C48 | N9 | C47 | 62.2° | 141.9° |
| C50 | C48 | C49 | O11 | 74.0° | 83.7° |
| C48 | C50 | C51 | C52 | 122.0° | 120.0° |
| C48 | C50 | C51 | H87 | 118.8° | 120.0° |
| C48 | C50 | C52 | H87 | 118.8° | 120.0° |
| C48 | C50 | C51 | H88 | 180.0° | 55.0° |
| C48 | C50 | C51 | H89 | 60.0° | 175.1° |
| C48 | C50 | C51 | H90 | 60.0° | 64.9° |
| C48 | C50 | C52 | H91 | 180.0° | 65.0° |
| C48 | C50 | C52 | H92 | 60.0° | 175.0° |
| C48 | C50 | C52 | H93 | 60.0° | 55.0° |
| C50 | C48 | N9 | C47 | 176.4° | 21.2° |
| C50 | C48 | C49 | N10 | 109.3° | 96.4° |
| H86 | C48 | C49 | O11 | 168.2° | 157.1° |
| H86 | C48 | C50 | C51 | 58.1° | 170.8° |
| H86 | C48 | C50 | C52 | 64.2° | 50.8° |
| H86 | C48 | C50 | H87 | 176.9° | 69.2° |
| H86 | C48 | N9 | C47 | 56.7° | 98.1° |
| H86 | C48 | C49 | N10 | 8.6° | 22.7° |
| O11 | C49 | N10 | C53 | 179.4° | 178.3° |
| O11 | C49 | N10 | C54 | 1.8° | 2.3° |
| C51 | C50 | C52 | H87 | 119.2° | 120.0° |
| C50 | C51 | H88 | H89 | 120.0° | 120.0° |
| C50 | C51 | H88 | H90 | 120.0° | 119.9° |
| C50 | C51 | H89 | H90 | 119.9° | 120.0° |
| C51 | C50 | C52 | H91 | 57.9° | 175.0° |
| C51 | C50 | C52 | H92 | 62.1° | 55.0° |
| C51 | C50 | C52 | H93 | 178.0° | 65.0° |
| C52 | C50 | C51 | H88 | 58.0° | 65.0° |
| C52 | C50 | C51 | H89 | 178.1° | 55.0° |
| C52 | C50 | C51 | H90 | 62.0° | 175.0° |
| C50 | C52 | H91 | H92 | 120.0° | 120.0° |
| C50 | C52 | H91 | H93 | 120.0° | 120.0° |
| C50 | C52 | H92 | H93 | 120.0° | 120.0° |
| H87 | C50 | C51 | H88 | 61.2° | 174.9° |
| H87 | C50 | C51 | H89 | 58.8° | 65.0° |
| H87 | C50 | C51 | H90 | 178.8° | 55.0° |
| H87 | C50 | C52 | H91 | 61.2° | 55.0° |
| H87 | C50 | C52 | H92 | 178.8° | 65.0° |
| H87 | C50 | C52 | H93 | 58.8° | 175.0° |
| H88 | C51 | H89 | H90 | 120.0° | 120.0° |
| H91 | C52 | H92 | H93 | 120.0° | 120.0° |
| C53 | N10 | C54 | C49 | 178.8° | 179.4° |
| N10 | C53 | H94 | H95 | 120.0° | 120.0° |
| N10 | C53 | H94 | H96 | 120.0° | 120.0° |
| N10 | C53 | H95 | H96 | 120.0° | 120.0° |
| C53 | N10 | C54 | C55 | 51.3° | 20.3° |
| C53 | N10 | C54 | C59 | 73.2° | 100.4° |
| C53 | N10 | C54 | H97 | 168.2° | 139.8° |
| C54 | N10 | C53 | H94 | 180.0° | 174.4° |
| C54 | N10 | C53 | H95 | 60.0° | 65.6° |
| C54 | N10 | C53 | H96 | 60.0° | 54.4° |
| N10 | C54 | C55 | C59 | 126.6° | 120.4° |
| N10 | C54 | C55 | H97 | 117.3° | 119.6° |
| N10 | C54 | C59 | H97 | 119.0° | 119.7° |
| N10 | C54 | C55 | C56 | 50.7° | 180.0° |
| N10 | C54 | C55 | H98 | 70.5° | 60.0° |
| N10 | C54 | C55 | H99 | 171.8° | 60.0° |
| N10 | C54 | C59 | O12 | 3.0° | 112.5° |
| N10 | C54 | C59 | N11 | 165.1° | 67.2° |
| H94 | C53 | H95 | H96 | 120.0° | 120.0° |
| H94 | C53 | N10 | C49 | 1.2° | 5.0° |
| H95 | C53 | N10 | C49 | 118.8° | 115.0° |
| H96 | C53 | N10 | C49 | 121.2° | 125.0° |
| C55 | C54 | C59 | H97 | 115.8° | 119.8° |
| C54 | C55 | C56 | H98 | 121.2° | 120.0° |
| C54 | C55 | C56 | H99 | 121.2° | 120.0° |
| C54 | C55 | H98 | H99 | 116.4° | 120.0° |
| C54 | C55 | C56 | C57 | 173.7° | 70.0° |
| C54 | C55 | C56 | C58 | 51.0° | 170.0° |
| C54 | C55 | C56 | H100 | 68.1° | 50.0° |
| C55 | C54 | C59 | O12 | 128.2° | 127.0° |
| C55 | C54 | N10 | C49 | 129.8° | 159.1° |
| C55 | C54 | C59 | N11 | 69.7° | 53.3° |
| C59 | C54 | C55 | C56 | 177.3° | 59.6° |
| C59 | C54 | C55 | H98 | 56.2° | 179.6° |
| C59 | C54 | C55 | H99 | 61.5° | 60.4° |
| C54 | C59 | O12 | N11 | 160.5° | 179.7° |
| C54 | C59 | N11 | C60 | 179.9° | 174.2° |
| C54 | C59 | N11 | H107 | 0.2° | 6.2° |
| C59 | C54 | N10 | C49 | 105.6° | 80.2° |
| H97 | C54 | C55 | C56 | 66.7° | 60.4° |
| H97 | C54 | C55 | H98 | 172.2° | 59.6° |
| H97 | C54 | C55 | H99 | 54.5° | 179.6° |
| H97 | C54 | C59 | O12 | 116.0° | 7.2° |
| H97 | C54 | N10 | C49 | 13.0° | 39.6° |
| H97 | C54 | C59 | N11 | 46.1° | 173.1° |
| C56 | C55 | H98 | H99 | 116.4° | 119.9° |
| C55 | C56 | C57 | C58 | 122.7° | 120.0° |
| C55 | C56 | C57 | H100 | 118.0° | 120.0° |
| C55 | C56 | C58 | H100 | 119.0° | 120.0° |
| C55 | C56 | C57 | H101 | 180.0° | 55.0° |
| C55 | C56 | C57 | H102 | 60.0° | 175.0° |
| C55 | C56 | C57 | H103 | 60.0° | 65.1° |
| C55 | C56 | C58 | H104 | 180.0° | 60.0° |
| C55 | C56 | C58 | H105 | 60.0° | 180.0° |
| C55 | C56 | C58 | H106 | 60.0° | 60.0° |
| H98 | C55 | C56 | C57 | 65.1° | 50.0° |
| H98 | C55 | C56 | C58 | 172.2° | 69.9° |
| H98 | C55 | C56 | H100 | 53.1° | 170.1° |
| H99 | C55 | C56 | C57 | 52.6° | 170.0° |
| H99 | C55 | C56 | C58 | 70.1° | 50.0° |
| H99 | C55 | C56 | H100 | 170.8° | 70.0° |
| C57 | C56 | C58 | H100 | 119.3° | 120.0° |
| C56 | C57 | H101 | H102 | 120.0° | 120.0° |
| C56 | C57 | H101 | H103 | 120.0° | 120.1° |
| C56 | C57 | H102 | H103 | 120.0° | 119.9° |
| C57 | C56 | C58 | H104 | 58.3° | 180.0° |
| C57 | C56 | C58 | H105 | 61.7° | 60.1° |
| C57 | C56 | C58 | H106 | 178.3° | 60.0° |
| C58 | C56 | C57 | H101 | 57.3° | 65.0° |
| C58 | C56 | C57 | H102 | 177.3° | 55.1° |
| C58 | C56 | C57 | H103 | 62.7° | 174.9° |
| C56 | C58 | H104 | H105 | 120.0° | 120.0° |
| C56 | C58 | H104 | H106 | 120.0° | 120.0° |
| C56 | C58 | H105 | H106 | 120.0° | 120.0° |
| H100 | C56 | C57 | H101 | 62.0° | 175.0° |
| H100 | C56 | C57 | H102 | 58.1° | 65.0° |
| H100 | C56 | C57 | H103 | 178.1° | 54.9° |
| H100 | C56 | C58 | H104 | 61.0° | 60.0° |
| H100 | C56 | C58 | H105 | 179.0° | 60.0° |
| H100 | C56 | C58 | H106 | 59.0° | 180.0° |
| H101 | C57 | H102 | H103 | 120.0° | 120.0° |
| H104 | C58 | H105 | H106 | 120.0° | 120.0° |
| O12 | C59 | N11 | C60 | 18.2° | 6.2° |
| O12 | C59 | N11 | H107 | 161.8° | 173.4° |
| C60 | N11 | H107 | C59 | 180.0° | 179.6° |
| N11 | C60 | C61 | C62 | 121.2° | 120.4° |
| N11 | C60 | C61 | H108 | 120.1° | 119.9° |
| N11 | C60 | C62 | H108 | 119.7° | 120.2° |
| N11 | C60 | C61 | O13 | 40.4° | 115.9° |
| N11 | C60 | C62 | H109 | 180.0° | 60.0° |
| N11 | C60 | C62 | H110 | 60.0° | 180.0° |
| N11 | C60 | C62 | H111 | 60.0° | 60.0° |
| N11 | C60 | C61 | N1 | 152.0° | 63.9° |
| H107 | N11 | C60 | C61 | 122.5° | 55.4° |
| H107 | N11 | C60 | C62 | 1.2° | 65.0° |
| H107 | N11 | C60 | H108 | 117.9° | 175.1° |
| C61 | C60 | C62 | H108 | 118.8° | 119.8° |
| C60 | C61 | O13 | N1 | 166.7° | 179.9° |
| C61 | C60 | C62 | H109 | 58.5° | 60.1° |
| C61 | C60 | C62 | H110 | 178.5° | 60.0° |
| C61 | C60 | C62 | H111 | 61.5° | 179.9° |
| C61 | C60 | N11 | C59 | 57.5° | 124.2° |
| C62 | C60 | C61 | O13 | 80.8° | 123.7° |
| C60 | C62 | H109 | H110 | 120.0° | 120.0° |
| C60 | C62 | H109 | H111 | 120.0° | 120.0° |
| C60 | C62 | H110 | H111 | 120.0° | 120.0° |
| C62 | C60 | C61 | N1 | 86.8° | 56.4° |
| C62 | C60 | N11 | C59 | 178.7° | 115.4° |
| H108 | C60 | C61 | O13 | 160.5° | 3.9° |
| H108 | C60 | C62 | H109 | 60.3° | 179.8° |
| H108 | C60 | C62 | H110 | 59.7° | 59.8° |
| H108 | C60 | C62 | H111 | 179.7° | 60.2° |
| H108 | C60 | C61 | N1 | 31.9° | 176.2° |
| H108 | C60 | N11 | C59 | 62.2° | 4.6° |
| H109 | C62 | H110 | H111 | 120.0° | 120.0° |
