PRD_002551
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.61Å | |
| C1 | C3 | sing | 1.50Å | 1.62Å | |
| 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 | 1.54Å | |
| N2 | C5 | sing | 1.48Å | 1.54Å | |
| 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 | 1.59Å | |
| C5 | C10 | sing | 1.50Å | 1.61Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.62Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.62Å | |
| C7 | C9 | sing | 1.53Å | 1.62Å | |
| 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 | 1.23Å | |
| N3 | C11 | sing | 1.46Å | 1.54Å | |
| N3 | C12 | sing | 1.48Å | 1.52Å | |
| 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 | 1.63Å | |
| C12 | C17 | sing | 1.50Å | 1.63Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.63Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.63Å | |
| C14 | C16 | sing | 1.53Å | 1.62Å | |
| 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 | 1.46Å | 1.53Å | |
| N4 | C19 | sing | 1.48Å | 1.54Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C23 | sing | 1.51Å | 1.60Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.60Å | |
| C20 | C22 | sing | 1.53Å | 1.61Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.22Å | 1.25Å | |
| N5 | C24 | sing | 1.48Å | 1.54Å | |
| N5 | C25 | sing | 1.48Å | 1.52Å | |
| 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 | 1.57Å | |
| C25 | C27 | sing | 1.52Å | 1.61Å | |
| C25 | H46 | sing | 1.10Å | 1.10Å | |
| C26 | O5 | doub | 1.22Å | 1.22Å | |
| C27 | O6 | sing | 1.43Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.62Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| C28 | C29 | sing | 1.53Å | 1.61Å | |
| C28 | C30 | sing | 1.53Å | 1.60Å | |
| 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 | 1.61Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.31Å | 1.39Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.51Å | 1.61Å | |
| 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 | 1.51Å | |
| N6 | H60 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.57Å | |
| C34 | C36 | sing | 1.54Å | 1.60Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | O7 | doub | 1.22Å | 1.22Å | |
| C36 | C37 | sing | 1.53Å | 1.62Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| O8 | C41 | doub | 1.22Å | 1.22Å | |
| C41 | C39 | sing | 1.50Å | 1.58Å | |
| C38 | N7 | sing | 1.46Å | 1.53Å | |
| C39 | C40 | sing | 1.54Å | 1.60Å | |
| C39 | N7 | sing | 1.48Å | 1.52Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C40 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | C44 | sing | 1.53Å | 1.61Å | |
| C48 | C42 | sing | 1.53Å | 1.62Å | |
| C44 | C45 | sing | 1.53Å | 1.62Å | |
| C44 | C43 | sing | 1.53Å | 1.60Å | |
| C42 | N8 | sing | 1.47Å | 1.54Å | |
| C43 | N8 | sing | 1.48Å | 1.54Å | |
| C43 | C47 | sing | 1.51Å | 1.58Å | |
| O9 | C47 | doub | 1.22Å | 1.22Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C43 | H76 | sing | 1.09Å | 1.10Å | |
| C44 | H77 | sing | 1.09Å | 1.10Å | |
| C45 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | H84 | sing | 1.09Å | 1.10Å | |
| C48 | H85 | sing | 1.09Å | 1.10Å | |
| C48 | H86 | sing | 1.09Å | 1.10Å | |
| N9 | C49 | sing | 1.48Å | 1.51Å | |
| N9 | H87 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.50Å | 1.59Å | |
| C49 | C51 | sing | 1.53Å | 1.62Å | |
| C49 | H88 | sing | 1.11Å | 1.10Å | |
| C50 | O10 | doub | 1.23Å | 1.23Å | |
| C51 | C52 | sing | 1.53Å | 1.62Å | |
| C51 | C53 | sing | 1.53Å | 1.61Å | |
| C51 | H89 | sing | 1.09Å | 1.10Å | |
| C52 | H90 | sing | 1.09Å | 1.10Å | |
| C52 | H91 | sing | 1.09Å | 1.10Å | |
| C52 | H92 | sing | 1.09Å | 1.10Å | |
| C53 | H93 | sing | 1.09Å | 1.10Å | |
| C53 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| N10 | C54 | sing | 1.46Å | 1.53Å | |
| N10 | C55 | sing | 1.49Å | 1.51Å | |
| C54 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C54 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.61Å | |
| C55 | C60 | sing | 1.50Å | 1.59Å | |
| C55 | H99 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.62Å | |
| C56 | H100 | sing | 1.09Å | 1.10Å | |
| C56 | H101 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.62Å | |
| C57 | C59 | sing | 1.53Å | 1.60Å | |
| C57 | H102 | sing | 1.09Å | 1.10Å | |
| C58 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | H105 | sing | 1.09Å | 1.10Å | |
| C59 | H106 | sing | 1.09Å | 1.10Å | |
| C59 | H107 | sing | 1.09Å | 1.10Å | |
| C59 | H108 | sing | 1.09Å | 1.10Å | |
| C60 | O11 | doub | 1.22Å | 1.24Å | |
| N11 | C61 | sing | 1.48Å | 1.52Å | |
| N11 | H109 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.50Å | 1.62Å | |
| C61 | C63 | sing | 1.53Å | 1.61Å | |
| C61 | H110 | sing | 1.09Å | 1.10Å | |
| C62 | O12 | doub | 1.22Å | 1.25Å | |
| C63 | H111 | sing | 1.09Å | 1.10Å | |
| C63 | H112 | sing | 1.09Å | 1.10Å | |
| C63 | H113 | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.36Å | 1.52Å | |
| N1 | C62 | sing | 1.35Å | 1.51Å | |
| C10 | N3 | sing | 1.37Å | 1.52Å | |
| C17 | N4 | sing | 1.36Å | 1.49Å | |
| C23 | N5 | sing | 1.36Å | 1.50Å | |
| C26 | N6 | sing | 1.36Å | 1.49Å | |
| C35 | N7 | sing | 1.37Å | 1.49Å | |
| C41 | N8 | sing | 1.36Å | 1.51Å | |
| C47 | N9 | sing | 1.37Å | 1.51Å | |
| C50 | N10 | sing | 1.36Å | 1.49Å | |
| C60 | N11 | sing | 1.36Å | 1.51Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 124.4° | 119.4° |
| N1 | C1 | C2 | 108.1° | 108.6° |
| N1 | C1 | C3 | 98.8° | 109.1° |
| N1 | C1 | H2 | 115.1° | 109.0° |
| C1 | N1 | C62 | 111.2° | 120.1° |
| H1 | N1 | C62 | 124.4° | 120.6° |
| C2 | C1 | C3 | 106.2° | 109.8° |
| C2 | C1 | H2 | 113.7° | 109.9° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.4° | 109.5° |
| C1 | C2 | H5 | 109.4° | 109.4° |
| C3 | C1 | H2 | 113.6° | 110.4° |
| C1 | C3 | O1 | 127.5° | 119.0° |
| C1 | C3 | N2 | 112.2° | 122.2° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H3 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| O1 | C3 | N2 | 120.3° | 118.8° |
| C4 | N2 | C5 | 124.1° | 120.3° |
| N2 | C4 | H6 | 109.5° | 109.5° |
| N2 | C4 | H7 | 109.5° | 109.5° |
| N2 | C4 | H8 | 109.4° | 109.5° |
| C4 | N2 | C3 | 123.5° | 119.8° |
| N2 | C5 | C6 | 106.6° | 108.5° |
| N2 | C5 | C10 | 102.9° | 109.2° |
| N2 | C5 | H9 | 113.3° | 109.8° |
| C5 | N2 | C3 | 112.5° | 119.9° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| C6 | C5 | C10 | 108.4° | 109.4° |
| C6 | C5 | H9 | 112.6° | 109.2° |
| C5 | C6 | C7 | 106.6° | 109.5° |
| C5 | C6 | H10 | 110.2° | 109.5° |
| C5 | C6 | H11 | 110.1° | 109.5° |
| C10 | C5 | H9 | 112.4° | 110.8° |
| C5 | C10 | O2 | 124.6° | 120.0° |
| C5 | C10 | N3 | 114.0° | 121.2° |
| C7 | C6 | H10 | 110.2° | 109.5° |
| C7 | C6 | H11 | 110.2° | 109.5° |
| C6 | C7 | C8 | 107.6° | 109.5° |
| C6 | C7 | C9 | 110.9° | 109.5° |
| C6 | C7 | H12 | 109.0° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | C7 | C9 | 111.3° | 109.5° |
| C8 | C7 | H12 | 109.1° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.4° | 109.5° |
| C7 | C8 | H15 | 109.4° | 109.5° |
| C9 | C7 | H12 | 109.0° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.4° |
| C7 | C9 | H17 | 109.4° | 109.5° |
| C7 | C9 | H18 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.4° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.4° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| O2 | C10 | N3 | 121.4° | 118.8° |
| C11 | N3 | C12 | 124.1° | 123.1° |
| N3 | C11 | H19 | 109.5° | 109.5° |
| N3 | C11 | H20 | 109.5° | 109.5° |
| N3 | C11 | H21 | 109.5° | 109.5° |
| C11 | N3 | C10 | 123.3° | 122.4° |
| N3 | C12 | C13 | 108.9° | 108.8° |
| N3 | C12 | C17 | 100.3° | 111.9° |
| N3 | C12 | H22 | 113.8° | 107.8° |
| C12 | N3 | C10 | 112.5° | 114.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H21 | 109.4° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| C13 | C12 | C17 | 108.7° | 108.7° |
| C13 | C12 | H22 | 112.2° | 108.0° |
| C12 | C13 | C14 | 109.0° | 109.5° |
| C12 | C13 | H23 | 109.6° | 109.5° |
| C12 | C13 | H24 | 109.6° | 109.5° |
| C17 | C12 | H22 | 112.3° | 111.5° |
| C12 | C17 | O3 | 127.7° | 120.7° |
| C12 | C17 | N4 | 112.2° | 121.6° |
| C14 | C13 | H23 | 109.6° | 109.5° |
| C14 | C13 | H24 | 109.6° | 109.5° |
| C13 | C14 | C15 | 109.1° | 109.5° |
| C13 | C14 | C16 | 106.7° | 109.4° |
| C13 | C14 | H25 | 109.7° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.4° |
| C15 | C14 | C16 | 111.8° | 109.5° |
| C15 | C14 | H25 | 109.8° | 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 | 109.7° | 109.4° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C16 | H31 | 109.4° | 109.5° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| H26 | C15 | H28 | 109.4° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.4° |
| H29 | C16 | H30 | 109.5° | 109.4° |
| H29 | C16 | H31 | 109.4° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| O3 | C17 | N4 | 120.1° | 117.6° |
| C18 | N4 | C19 | 123.7° | 119.9° |
| N4 | C18 | H32 | 109.5° | 109.5° |
| N4 | C18 | H33 | 109.5° | 109.5° |
| N4 | C18 | H34 | 109.5° | 109.5° |
| C18 | N4 | C17 | 124.4° | 123.5° |
| N4 | C19 | C20 | 109.9° | 107.6° |
| N4 | C19 | C23 | 97.2° | 109.6° |
| N4 | C19 | H35 | 114.2° | 109.2° |
| C19 | N4 | C17 | 111.9° | 116.6° |
| H32 | C18 | H33 | 109.4° | 109.5° |
| H32 | C18 | H34 | 109.5° | 109.4° |
| H33 | C18 | H34 | 109.4° | 109.4° |
| C20 | C19 | C23 | 107.7° | 109.9° |
| C20 | C19 | H35 | 113.5° | 110.1° |
| C19 | C20 | C21 | 109.0° | 109.4° |
| C19 | C20 | C22 | 100.7° | 109.4° |
| C19 | C20 | H36 | 112.4° | 109.5° |
| C23 | C19 | H35 | 113.1° | 110.5° |
| C19 | C23 | O4 | 126.0° | 118.5° |
| C19 | C23 | N5 | 112.0° | 120.1° |
| C21 | C20 | C22 | 110.4° | 109.5° |
| C21 | C20 | H36 | 112.1° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.4° |
| C20 | C21 | H38 | 109.5° | 109.4° |
| C20 | C21 | H39 | 109.4° | 109.5° |
| C22 | C20 | H36 | 111.8° | 109.5° |
| C20 | C22 | H40 | 109.5° | 109.5° |
| C20 | C22 | H41 | 109.5° | 109.4° |
| C20 | C22 | H42 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H37 | C21 | H39 | 109.4° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H40 | C22 | H41 | 109.4° | 109.5° |
| H40 | C22 | H42 | 109.5° | 109.6° |
| H41 | C22 | H42 | 109.4° | 109.4° |
| O4 | C23 | N5 | 122.0° | 121.3° |
| C24 | N5 | C25 | 125.0° | 118.9° |
| N5 | C24 | H43 | 109.5° | 109.4° |
| N5 | C24 | H44 | 109.4° | 109.5° |
| N5 | C24 | H45 | 109.4° | 109.4° |
| C24 | N5 | C23 | 121.6° | 122.0° |
| N5 | C25 | C26 | 105.2° | 109.6° |
| N5 | C25 | C27 | 113.6° | 112.7° |
| N5 | C25 | H46 | 109.1° | 107.3° |
| C25 | N5 | C23 | 113.4° | 119.1° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| H43 | C24 | H45 | 109.5° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.6° |
| C26 | C25 | C27 | 112.4° | 111.5° |
| C26 | C25 | H46 | 108.4° | 107.6° |
| C25 | C26 | O5 | 126.7° | 120.2° |
| C25 | C26 | N6 | 105.7° | 119.5° |
| C27 | C25 | H46 | 107.9° | 108.0° |
| C25 | C27 | O6 | 105.1° | 109.4° |
| C25 | C27 | C28 | 107.1° | 109.5° |
| C25 | C27 | H47 | 110.7° | 109.4° |
| O5 | C26 | N6 | 127.4° | 120.3° |
| O6 | C27 | C28 | 110.1° | 109.5° |
| O6 | C27 | H47 | 112.9° | 109.5° |
| C27 | O6 | H48 | 109.5° | 114.0° |
| C28 | C27 | H47 | 110.7° | 109.5° |
| C27 | C28 | C29 | 109.1° | 109.5° |
| C27 | C28 | C30 | 109.6° | 109.5° |
| C27 | C28 | H49 | 109.7° | 109.5° |
| C29 | C28 | C30 | 108.8° | 109.5° |
| C29 | C28 | H49 | 109.8° | 109.4° |
| C28 | C29 | H50 | 109.5° | 109.4° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.4° |
| C30 | C28 | H49 | 109.8° | 109.5° |
| C28 | C30 | C31 | 109.6° | 109.4° |
| C28 | C30 | H53 | 109.4° | 109.4° |
| C28 | C30 | H54 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.4° | 109.5° |
| H50 | C29 | H52 | 109.5° | 109.5° |
| H51 | C29 | H52 | 109.4° | 109.5° |
| C31 | C30 | H53 | 109.4° | 109.5° |
| C31 | C30 | H54 | 109.5° | 109.5° |
| C30 | C31 | C32 | 141.3° | 120.0° |
| C30 | C31 | H55 | 109.3° | 120.0° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| C32 | C31 | H55 | 109.4° | 120.0° |
| C31 | C32 | C33 | 146.9° | 120.0° |
| C31 | C32 | H56 | 106.5° | 120.0° |
| C33 | C32 | H56 | 106.5° | 119.9° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C33 | H58 | 109.4° | 109.5° |
| C32 | C33 | H59 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H57 | C33 | H59 | 109.4° | 109.5° |
| H58 | C33 | H59 | 109.5° | 109.5° |
| C34 | N6 | H60 | 122.8° | 121.4° |
| N6 | C34 | C35 | 105.7° | 110.5° |
| N6 | C34 | C36 | 108.8° | 108.4° |
| N6 | C34 | H61 | 112.0° | 108.5° |
| C34 | N6 | C26 | 114.3° | 117.1° |
| H60 | N6 | C26 | 122.8° | 121.5° |
| C35 | C34 | C36 | 108.3° | 109.1° |
| C35 | C34 | H61 | 111.1° | 111.3° |
| C34 | C35 | O7 | 123.2° | 119.4° |
| C34 | C35 | N7 | 113.0° | 120.9° |
| C36 | C34 | H61 | 110.7° | 108.9° |
| C34 | C36 | C37 | 105.8° | 109.5° |
| C34 | C36 | H62 | 110.4° | 109.5° |
| C34 | C36 | H63 | 110.4° | 109.5° |
| O7 | C35 | N7 | 123.7° | 119.6° |
| C37 | C36 | H62 | 110.4° | 109.5° |
| C37 | C36 | H63 | 110.4° | 109.5° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.4° | 109.4° |
| C36 | C37 | H66 | 109.5° | 109.4° |
| H62 | C36 | H63 | 109.4° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H64 | C37 | H66 | 109.5° | 109.5° |
| H65 | C37 | H66 | 109.4° | 109.5° |
| O8 | C41 | C39 | 124.3° | 118.8° |
| O8 | C41 | N8 | 121.6° | 119.1° |
| C41 | C39 | C40 | 109.0° | 108.7° |
| C41 | C39 | N7 | 104.5° | 110.5° |
| C41 | C39 | H70 | 111.4° | 112.1° |
| C39 | C41 | N8 | 114.1° | 122.0° |
| C38 | N7 | C39 | 125.1° | 122.3° |
| N7 | C38 | H67 | 109.5° | 109.5° |
| N7 | C38 | H68 | 109.5° | 109.5° |
| N7 | C38 | H69 | 109.5° | 109.4° |
| C38 | N7 | C35 | 123.8° | 122.4° |
| C40 | C39 | N7 | 108.3° | 108.5° |
| C40 | C39 | H70 | 111.1° | 108.3° |
| C39 | C40 | H71 | 109.5° | 109.5° |
| C39 | C40 | H72 | 109.5° | 109.4° |
| C39 | C40 | H73 | 109.4° | 109.4° |
| N7 | C39 | H70 | 112.3° | 108.8° |
| C39 | N7 | C35 | 111.0° | 115.3° |
| H67 | C38 | H68 | 109.5° | 109.5° |
| H67 | C38 | H69 | 109.4° | 109.4° |
| H68 | C38 | H69 | 109.5° | 109.5° |
| H71 | C40 | H72 | 109.4° | 109.6° |
| H71 | C40 | H73 | 109.4° | 109.5° |
| H72 | C40 | H73 | 109.5° | 109.4° |
| C46 | C44 | C45 | 111.3° | 109.5° |
| C46 | C44 | C43 | 107.3° | 109.5° |
| C46 | C44 | H77 | 111.5° | 109.5° |
| C44 | C46 | H81 | 109.5° | 109.5° |
| C44 | C46 | H82 | 109.5° | 109.5° |
| C44 | C46 | H83 | 109.5° | 109.5° |
| C48 | C42 | N8 | 112.0° | 109.5° |
| C48 | C42 | H74 | 108.8° | 109.5° |
| C48 | C42 | H75 | 108.8° | 109.5° |
| C42 | C48 | H84 | 109.5° | 109.4° |
| C42 | C48 | H85 | 109.5° | 109.5° |
| C42 | C48 | H86 | 109.5° | 109.5° |
| C45 | C44 | C43 | 103.1° | 109.5° |
| C45 | C44 | H77 | 111.5° | 109.5° |
| C44 | C45 | H78 | 109.4° | 109.5° |
| C44 | C45 | H79 | 109.5° | 109.5° |
| C44 | C45 | H80 | 109.4° | 109.5° |
| C44 | C43 | N8 | 108.3° | 109.8° |
| C44 | C43 | C47 | 113.2° | 108.0° |
| C44 | C43 | H76 | 110.9° | 109.7° |
| C43 | C44 | H77 | 111.8° | 109.5° |
| C42 | N8 | C43 | 124.1° | 120.2° |
| N8 | C42 | H74 | 108.8° | 109.4° |
| N8 | C42 | H75 | 108.9° | 109.4° |
| C42 | N8 | C41 | 123.4° | 122.6° |
| N8 | C43 | C47 | 101.3° | 109.8° |
| N8 | C43 | H76 | 111.6° | 109.8° |
| C43 | N8 | C41 | 112.5° | 117.2° |
| C43 | C47 | O9 | 124.7° | 119.2° |
| C47 | C43 | H76 | 111.0° | 109.8° |
| C43 | C47 | N9 | 109.5° | 120.9° |
| O9 | C47 | N9 | 125.8° | 119.9° |
| H74 | C42 | H75 | 109.4° | 109.5° |
| H78 | C45 | H79 | 109.4° | 109.5° |
| H78 | C45 | H80 | 109.5° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.5° |
| H81 | C46 | H82 | 109.4° | 109.5° |
| H81 | C46 | H83 | 109.4° | 109.5° |
| H82 | C46 | H83 | 109.5° | 109.5° |
| H84 | C48 | H85 | 109.4° | 109.5° |
| H84 | C48 | H86 | 109.5° | 109.4° |
| H85 | C48 | H86 | 109.5° | 109.5° |
| C49 | N9 | H87 | 122.3° | 123.0° |
| N9 | C49 | C50 | 102.4° | 111.3° |
| N9 | C49 | C51 | 108.0° | 111.1° |
| N9 | C49 | H88 | 113.6° | 107.4° |
| C49 | N9 | C47 | 115.4° | 114.8° |
| H87 | N9 | C47 | 122.3° | 122.2° |
| C50 | C49 | C51 | 108.1° | 111.8° |
| C50 | C49 | H88 | 112.4° | 107.5° |
| C49 | C50 | O10 | 124.9° | 118.2° |
| C49 | C50 | N10 | 114.2° | 124.2° |
| C51 | C49 | H88 | 111.9° | 107.5° |
| C49 | C51 | C52 | 108.6° | 109.4° |
| C49 | C51 | C53 | 106.2° | 109.5° |
| C49 | C51 | H89 | 110.2° | 109.5° |
| O10 | C50 | N10 | 120.9° | 117.6° |
| C52 | C51 | C53 | 111.2° | 109.5° |
| C52 | C51 | H89 | 110.2° | 109.5° |
| C51 | C52 | H90 | 109.5° | 109.5° |
| C51 | C52 | H91 | 109.5° | 109.4° |
| C51 | C52 | H92 | 109.4° | 109.5° |
| C53 | C51 | H89 | 110.4° | 109.5° |
| C51 | C53 | H93 | 109.6° | 109.5° |
| C51 | C53 | H94 | 109.5° | 109.5° |
| C51 | C53 | H95 | 109.5° | 109.4° |
| H90 | C52 | H91 | 109.5° | 109.4° |
| H90 | C52 | H92 | 109.5° | 109.5° |
| H91 | C52 | H92 | 109.4° | 109.5° |
| H93 | C53 | H94 | 109.4° | 109.5° |
| H93 | C53 | H95 | 109.5° | 109.4° |
| H94 | C53 | H95 | 109.4° | 109.5° |
| C54 | N10 | C55 | 124.3° | 121.0° |
| N10 | C54 | H96 | 109.5° | 109.5° |
| N10 | C54 | H97 | 109.5° | 109.4° |
| N10 | C54 | H98 | 109.5° | 109.5° |
| C54 | N10 | C50 | 123.5° | 125.2° |
| N10 | C55 | C56 | 108.2° | 109.3° |
| N10 | C55 | C60 | 103.7° | 110.0° |
| N10 | C55 | H99 | 112.8° | 108.6° |
| C55 | N10 | C50 | 112.2° | 113.8° |
| H96 | C54 | H97 | 109.4° | 109.5° |
| H96 | C54 | H98 | 109.5° | 109.5° |
| H97 | C54 | H98 | 109.5° | 109.5° |
| C56 | C55 | C60 | 109.0° | 111.2° |
| C56 | C55 | H99 | 111.3° | 108.7° |
| C55 | C56 | C57 | 105.7° | 109.5° |
| C55 | C56 | H100 | 110.4° | 109.4° |
| C55 | C56 | H101 | 110.5° | 109.4° |
| C60 | C55 | H99 | 111.5° | 108.9° |
| C55 | C60 | O11 | 127.9° | 119.1° |
| C55 | C60 | N11 | 107.6° | 121.4° |
| C57 | C56 | H100 | 110.4° | 109.5° |
| C57 | C56 | H101 | 110.4° | 109.5° |
| C56 | C57 | C58 | 110.7° | 109.5° |
| C56 | C57 | C59 | 103.8° | 109.5° |
| C56 | C57 | H102 | 109.8° | 109.5° |
| H100 | C56 | H101 | 109.5° | 109.5° |
| C58 | C57 | C59 | 112.4° | 109.5° |
| C58 | C57 | H102 | 109.8° | 109.5° |
| C57 | C58 | H103 | 109.5° | 109.5° |
| C57 | C58 | H104 | 109.5° | 109.5° |
| C57 | C58 | H105 | 109.5° | 109.5° |
| C59 | C57 | H102 | 110.1° | 109.5° |
| C57 | C59 | H106 | 109.5° | 109.5° |
| C57 | C59 | H107 | 109.5° | 109.5° |
| C57 | C59 | H108 | 109.5° | 109.5° |
| H103 | C58 | H104 | 109.4° | 109.5° |
| H103 | C58 | H105 | 109.5° | 109.4° |
| H104 | C58 | H105 | 109.5° | 109.5° |
| H106 | C59 | H107 | 109.4° | 109.5° |
| H106 | C59 | H108 | 109.5° | 109.5° |
| H107 | C59 | H108 | 109.5° | 109.5° |
| O11 | C60 | N11 | 124.4° | 119.5° |
| C61 | N11 | H109 | 123.0° | 120.1° |
| N11 | C61 | C62 | 100.9° | 108.9° |
| N11 | C61 | C63 | 106.3° | 109.5° |
| N11 | C61 | H110 | 113.8° | 109.6° |
| C61 | N11 | C60 | 114.1° | 116.0° |
| H109 | N11 | C60 | 122.9° | 123.9° |
| C62 | C61 | C63 | 110.8° | 109.9° |
| C62 | C61 | H110 | 112.2° | 109.6° |
| C61 | C62 | O12 | 126.2° | 119.4° |
| C61 | C62 | N1 | 111.9° | 120.5° |
| C63 | C61 | H110 | 112.2° | 109.2° |
| C61 | C63 | H111 | 109.5° | 109.5° |
| C61 | C63 | H112 | 109.5° | 109.5° |
| C61 | C63 | H113 | 109.5° | 109.4° |
| O12 | C62 | N1 | 121.9° | 120.1° |
| H111 | C63 | H112 | 109.4° | 109.5° |
| H111 | C63 | H113 | 109.4° | 109.5° |
| H112 | C63 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C62 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 105.2° | 119.2° |
| N1 | C1 | C2 | H2 | 129.1° | 119.2° |
| N1 | C1 | C3 | H2 | 122.4° | 119.8° |
| N1 | C1 | C2 | H3 | 180.0° | 60.0° |
| N1 | C1 | C2 | H4 | 60.0° | 180.0° |
| N1 | C1 | C2 | H5 | 59.9° | 60.0° |
| N1 | C1 | C3 | O1 | 18.9° | 31.7° |
| C1 | N1 | C62 | C61 | 178.9° | 179.9° |
| C1 | N1 | C62 | O12 | 1.4° | 0.2° |
| N1 | C1 | C3 | N2 | 162.5° | 148.6° |
| H1 | N1 | C1 | C2 | 17.7° | 87.9° |
| H1 | N1 | C1 | C3 | 92.6° | 31.8° |
| H1 | N1 | C1 | H2 | 146.1° | 152.4° |
| H1 | N1 | C62 | C61 | 1.0° | 0.3° |
| H1 | N1 | C62 | O12 | 178.6° | 179.4° |
| C2 | C1 | C3 | H2 | 125.7° | 121.3° |
| C1 | C2 | H3 | H4 | 119.9° | 120.0° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.9° | 120.0° |
| C2 | C1 | C3 | O1 | 92.9° | 87.3° |
| C2 | C1 | C3 | N2 | 85.7° | 92.5° |
| C2 | C1 | N1 | C62 | 162.3° | 91.7° |
| C3 | C1 | C2 | H3 | 74.8° | 179.2° |
| C3 | C1 | C2 | H4 | 45.2° | 60.7° |
| C3 | C1 | C2 | H5 | 165.1° | 59.2° |
| C1 | C3 | O1 | N2 | 178.5° | 179.7° |
| C1 | C3 | N2 | C4 | 1.2° | 170.1° |
| C1 | C3 | N2 | C5 | 178.3° | 10.3° |
| C3 | C1 | N1 | C62 | 87.4° | 148.6° |
| H2 | C1 | C2 | H3 | 50.9° | 59.2° |
| H2 | C1 | C2 | H4 | 170.9° | 60.8° |
| H2 | C1 | C2 | H5 | 69.2° | 179.2° |
| H2 | C1 | C3 | O1 | 141.4° | 151.5° |
| H2 | C1 | C3 | N2 | 40.1° | 28.8° |
| H2 | C1 | N1 | C62 | 34.0° | 28.0° |
| H3 | C2 | H4 | H5 | 120.1° | 120.1° |
| O1 | C3 | N2 | C4 | 179.8° | 10.1° |
| O1 | C3 | N2 | C5 | 0.4° | 169.4° |
| C4 | N2 | C5 | C3 | 179.5° | 179.6° |
| N2 | C4 | H6 | H7 | 120.1° | 120.0° |
| N2 | C4 | H6 | H8 | 120.0° | 120.0° |
| N2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | N2 | C5 | C6 | 62.0° | 41.2° |
| C4 | N2 | C5 | C10 | 52.0° | 78.0° |
| C4 | N2 | C5 | H9 | 173.6° | 160.5° |
| C5 | N2 | C4 | H6 | 179.9° | 179.6° |
| C5 | N2 | C4 | H7 | 60.0° | 59.5° |
| C5 | N2 | C4 | H8 | 60.0° | 60.4° |
| N2 | C5 | C6 | C10 | 110.1° | 119.0° |
| N2 | C5 | C6 | H9 | 124.9° | 119.6° |
| N2 | C5 | C10 | H9 | 122.2° | 121.0° |
| N2 | C5 | C6 | C7 | 65.6° | 65.0° |
| N2 | C5 | C6 | H10 | 54.0° | 55.0° |
| N2 | C5 | C6 | H11 | 174.8° | 175.0° |
| N2 | C5 | C10 | O2 | 103.3° | 37.1° |
| N2 | C5 | C10 | N3 | 74.4° | 144.5° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H6 | C4 | N2 | C3 | 0.5° | 0.0° |
| H7 | C4 | N2 | C3 | 120.6° | 120.0° |
| H8 | C4 | N2 | C3 | 119.5° | 120.0° |
| C6 | C5 | C10 | H9 | 125.2° | 120.4° |
| C5 | C6 | C7 | H10 | 119.6° | 120.0° |
| C5 | C6 | C7 | H11 | 119.5° | 120.0° |
| C5 | C6 | H10 | H11 | 121.3° | 120.0° |
| C5 | C6 | C7 | C8 | 166.8° | 175.0° |
| C5 | C6 | C7 | C9 | 71.4° | 65.0° |
| C5 | C6 | C7 | H12 | 48.6° | 55.0° |
| C6 | C5 | C10 | O2 | 9.3° | 81.5° |
| C6 | C5 | N2 | C3 | 117.5° | 139.3° |
| C6 | C5 | C10 | N3 | 173.0° | 96.9° |
| C10 | C5 | C6 | C7 | 175.8° | 176.0° |
| C10 | C5 | C6 | H10 | 56.2° | 64.0° |
| C10 | C5 | C6 | H11 | 64.7° | 56.0° |
| C5 | C10 | O2 | N3 | 177.5° | 178.4° |
| C5 | C10 | N3 | C11 | 2.2° | 18.9° |
| C5 | C10 | N3 | C12 | 179.9° | 160.2° |
| C10 | C5 | N2 | C3 | 128.5° | 101.6° |
| H9 | C5 | C6 | C7 | 59.2° | 54.6° |
| H9 | C5 | C6 | H10 | 178.8° | 174.6° |
| H9 | C5 | C6 | H11 | 60.3° | 65.4° |
| H9 | C5 | C10 | O2 | 134.4° | 158.1° |
| H9 | C5 | N2 | C3 | 6.9° | 20.0° |
| H9 | C5 | C10 | N3 | 47.9° | 23.6° |
| C7 | C6 | H10 | H11 | 121.3° | 120.0° |
| C6 | C7 | C8 | C9 | 121.6° | 120.0° |
| C6 | C7 | C8 | H12 | 118.1° | 120.0° |
| C6 | C7 | C9 | H12 | 120.0° | 120.0° |
| C6 | C7 | C8 | H13 | 180.0° | 59.9° |
| C6 | C7 | C8 | H14 | 60.0° | 180.0° |
| C6 | C7 | C8 | H15 | 60.1° | 60.0° |
| C6 | C7 | C9 | H16 | 180.0° | 60.0° |
| C6 | C7 | C9 | H17 | 60.0° | 60.0° |
| C6 | C7 | C9 | H18 | 60.0° | 180.0° |
| H10 | C6 | C7 | C8 | 47.2° | 55.0° |
| H10 | C6 | C7 | C9 | 169.0° | 175.0° |
| H10 | C6 | C7 | H12 | 71.0° | 65.0° |
| H11 | C6 | C7 | C8 | 73.7° | 65.0° |
| H11 | C6 | C7 | C9 | 48.1° | 55.0° |
| H11 | C6 | C7 | H12 | 168.1° | 175.0° |
| C8 | C7 | C9 | H12 | 120.4° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.1° |
| C7 | C8 | H13 | H15 | 119.9° | 119.9° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | C9 | H16 | 60.3° | 60.0° |
| C8 | C7 | C9 | H17 | 59.7° | 180.0° |
| C8 | C7 | C9 | H18 | 179.7° | 60.0° |
| C9 | C7 | C8 | H13 | 58.3° | 60.1° |
| C9 | C7 | C8 | H14 | 178.4° | 60.0° |
| C9 | C7 | C8 | H15 | 61.6° | 180.0° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 119.9° |
| C7 | C9 | H17 | H18 | 120.0° | 120.0° |
| H12 | C7 | C8 | H13 | 61.9° | 179.9° |
| H12 | C7 | C8 | H14 | 58.1° | 60.0° |
| H12 | C7 | C8 | H15 | 178.1° | 60.0° |
| H12 | C7 | C9 | H16 | 60.0° | 180.0° |
| H12 | C7 | C9 | H17 | 180.0° | 60.0° |
| H12 | C7 | C9 | H18 | 60.0° | 60.1° |
| H13 | C8 | H14 | H15 | 120.0° | 119.9° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
| O2 | C10 | N3 | C11 | 179.9° | 159.4° |
| O2 | C10 | N3 | C12 | 2.4° | 21.4° |
| C11 | N3 | C12 | C10 | 177.7° | 179.1° |
| N3 | C11 | H19 | H20 | 120.0° | 120.0° |
| N3 | C11 | H19 | H21 | 120.0° | 120.0° |
| N3 | C11 | H20 | H21 | 120.0° | 120.0° |
| C11 | N3 | C12 | C13 | 42.0° | 112.5° |
| C11 | N3 | C12 | C17 | 72.1° | 7.6° |
| C11 | N3 | C12 | H22 | 167.9° | 130.6° |
| C12 | N3 | C11 | H19 | 180.0° | 179.1° |
| C12 | N3 | C11 | H20 | 60.0° | 60.9° |
| C12 | N3 | C11 | H21 | 60.0° | 59.1° |
| N3 | C12 | C13 | C17 | 108.4° | 122.1° |
| N3 | C12 | C13 | H22 | 126.9° | 116.8° |
| N3 | C12 | C17 | H22 | 121.2° | 120.8° |
| N3 | C12 | C13 | C14 | 71.6° | 69.1° |
| N3 | C12 | C13 | H23 | 48.3° | 51.0° |
| N3 | C12 | C13 | H24 | 168.5° | 170.9° |
| N3 | C12 | C17 | O3 | 10.2° | 53.4° |
| N3 | C12 | C17 | N4 | 170.2° | 129.2° |
| H19 | C11 | H20 | H21 | 120.0° | 120.0° |
| H19 | C11 | N3 | C10 | 2.6° | 0.0° |
| H20 | C11 | N3 | C10 | 117.4° | 120.0° |
| H21 | C11 | N3 | C10 | 122.6° | 120.0° |
| C13 | C12 | C17 | H22 | 124.7° | 119.0° |
| C12 | C13 | C14 | H23 | 119.9° | 120.0° |
| C12 | C13 | C14 | H24 | 119.9° | 120.0° |
| C12 | C13 | H23 | H24 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 55.0° | 178.6° |
| C12 | C13 | C14 | C16 | 176.0° | 61.4° |
| C12 | C13 | C14 | H25 | 65.2° | 58.5° |
| C13 | C12 | C17 | O3 | 103.9° | 66.8° |
| C13 | C12 | N3 | C10 | 140.4° | 66.6° |
| C13 | C12 | C17 | N4 | 75.7° | 110.6° |
| C17 | C12 | C13 | C14 | 180.0° | 168.8° |
| C17 | C12 | C13 | H23 | 60.1° | 71.1° |
| C17 | C12 | C13 | H24 | 60.1° | 48.8° |
| C12 | C17 | O3 | N4 | 179.6° | 177.5° |
| C12 | C17 | N4 | C18 | 2.3° | 2.8° |
| C12 | C17 | N4 | C19 | 176.6° | 176.8° |
| C17 | C12 | N3 | C10 | 105.6° | 173.2° |
| H22 | C12 | C13 | C14 | 55.2° | 47.7° |
| H22 | C12 | C13 | H23 | 175.1° | 167.7° |
| H22 | C12 | C13 | H24 | 64.7° | 72.3° |
| H22 | C12 | C17 | O3 | 131.4° | 174.2° |
| H22 | C12 | N3 | C10 | 14.4° | 50.3° |
| H22 | C12 | C17 | N4 | 49.0° | 8.4° |
| C14 | C13 | H23 | H24 | 120.2° | 120.0° |
| C13 | C14 | C15 | C16 | 117.8° | 120.0° |
| C13 | C14 | C15 | H25 | 120.2° | 120.0° |
| C13 | C14 | C16 | H25 | 118.7° | 120.0° |
| C13 | C14 | C15 | H26 | 180.0° | 60.0° |
| C13 | C14 | C15 | H27 | 60.0° | 180.0° |
| C13 | C14 | C15 | H28 | 60.1° | 60.1° |
| C13 | C14 | C16 | H29 | 180.0° | 60.0° |
| C13 | C14 | C16 | H30 | 60.0° | 180.0° |
| C13 | C14 | C16 | H31 | 60.0° | 60.0° |
| H23 | C13 | C14 | C15 | 175.0° | 58.6° |
| H23 | C13 | C14 | C16 | 64.1° | 178.5° |
| H23 | C13 | C14 | H25 | 54.7° | 61.5° |
| H24 | C13 | C14 | C15 | 64.9° | 61.4° |
| H24 | C13 | C14 | C16 | 56.1° | 58.6° |
| H24 | C13 | C14 | H25 | 174.8° | 178.6° |
| C15 | C14 | C16 | H25 | 122.0° | 120.0° |
| C14 | C15 | H26 | H27 | 120.1° | 120.0° |
| C14 | C15 | H26 | H28 | 120.0° | 120.1° |
| C14 | C15 | H27 | H28 | 120.0° | 120.0° |
| C15 | C14 | C16 | H29 | 60.7° | 180.0° |
| C15 | C14 | C16 | H30 | 179.2° | 60.0° |
| C15 | C14 | C16 | H31 | 59.2° | 60.0° |
| C16 | C14 | C15 | H26 | 62.2° | 60.0° |
| C16 | C14 | C15 | H27 | 57.8° | 60.0° |
| C16 | C14 | C15 | H28 | 177.8° | 180.0° |
| C14 | C16 | H29 | H30 | 120.1° | 120.0° |
| C14 | C16 | H29 | H31 | 119.9° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| H25 | C14 | C15 | H26 | 59.8° | 180.0° |
| H25 | C14 | C15 | H27 | 179.8° | 59.9° |
| H25 | C14 | C15 | H28 | 60.1° | 60.0° |
| H25 | C14 | C16 | H29 | 61.3° | 60.0° |
| H25 | C14 | C16 | H30 | 58.7° | 60.0° |
| H25 | C14 | C16 | H31 | 178.7° | 180.0° |
| H26 | C15 | H27 | H28 | 119.9° | 120.0° |
| H29 | C16 | H30 | H31 | 119.9° | 119.9° |
| O3 | C17 | N4 | C18 | 178.0° | 179.7° |
| O3 | C17 | N4 | C19 | 3.1° | 0.7° |
| C18 | N4 | C19 | C17 | 178.9° | 179.6° |
| N4 | C18 | H32 | H33 | 120.0° | 120.0° |
| N4 | C18 | H32 | H34 | 120.1° | 120.0° |
| N4 | C18 | H33 | H34 | 120.0° | 120.1° |
| C18 | N4 | C19 | C20 | 63.5° | 0.2° |
| C18 | N4 | C19 | C23 | 48.3° | 119.6° |
| C18 | N4 | C19 | H35 | 167.6° | 119.3° |
| C19 | N4 | C18 | H32 | 180.0° | 144.5° |
| C19 | N4 | C18 | H33 | 60.0° | 24.5° |
| C19 | N4 | C18 | H34 | 59.9° | 95.5° |
| N4 | C19 | C20 | C23 | 104.8° | 119.2° |
| N4 | C19 | C20 | H35 | 129.2° | 118.9° |
| N4 | C19 | C23 | H35 | 120.2° | 120.3° |
| N4 | C19 | C20 | C21 | 60.6° | 179.4° |
| N4 | C19 | C20 | C22 | 176.7° | 59.4° |
| N4 | C19 | C20 | H36 | 64.2° | 60.6° |
| N4 | C19 | C23 | O4 | 92.7° | 3.2° |
| N4 | C19 | C23 | N5 | 87.6° | 179.6° |
| H32 | C18 | H33 | H34 | 120.0° | 119.9° |
| H32 | C18 | N4 | C17 | 1.2° | 35.1° |
| H33 | C18 | N4 | C17 | 118.8° | 155.1° |
| H34 | C18 | N4 | C17 | 121.3° | 84.9° |
| C20 | C19 | C23 | H35 | 126.2° | 121.7° |
| C19 | C20 | C21 | C22 | 109.7° | 120.0° |
| C19 | C20 | C21 | H36 | 125.0° | 120.0° |
| C19 | C20 | C22 | H36 | 119.5° | 120.0° |
| C19 | C20 | C21 | H37 | 180.0° | 68.1° |
| C19 | C20 | C21 | H38 | 60.0° | 171.9° |
| C19 | C20 | C21 | H39 | 60.0° | 51.9° |
| C19 | C20 | C22 | H40 | 180.0° | 68.0° |
| C19 | C20 | C22 | H41 | 60.0° | 172.0° |
| C19 | C20 | C22 | H42 | 59.9° | 52.1° |
| C20 | C19 | C23 | O4 | 20.9° | 121.2° |
| C20 | C19 | N4 | C17 | 117.6° | 179.4° |
| C20 | C19 | C23 | N5 | 158.8° | 61.6° |
| C23 | C19 | C20 | C21 | 165.4° | 61.4° |
| C23 | C19 | C20 | C22 | 78.5° | 178.6° |
| C23 | C19 | C20 | H36 | 40.6° | 58.6° |
| C19 | C23 | O4 | N5 | 179.6° | 177.1° |
| C19 | C23 | N5 | C24 | 2.2° | 25.1° |
| C19 | C23 | N5 | C25 | 178.7° | 153.6° |
| C23 | C19 | N4 | C17 | 130.6° | 60.0° |
| H35 | C19 | C20 | C21 | 68.6° | 60.5° |
| H35 | C19 | C20 | C22 | 47.5° | 59.5° |
| H35 | C19 | C20 | H36 | 166.6° | 179.5° |
| H35 | C19 | C23 | O4 | 147.1° | 117.1° |
| H35 | C19 | N4 | C17 | 11.3° | 61.1° |
| H35 | C19 | C23 | N5 | 32.5° | 60.1° |
| C21 | C20 | C22 | H36 | 125.5° | 120.0° |
| C20 | C21 | H37 | H38 | 120.0° | 120.0° |
| C20 | C21 | H37 | H39 | 119.9° | 120.0° |
| C20 | C21 | H38 | H39 | 120.0° | 120.0° |
| C21 | C20 | C22 | H40 | 65.0° | 172.0° |
| C21 | C20 | C22 | H41 | 175.0° | 52.1° |
| C21 | C20 | C22 | H42 | 55.1° | 67.8° |
| C22 | C20 | C21 | H37 | 70.3° | 51.8° |
| C22 | C20 | C21 | H38 | 49.7° | 68.2° |
| C22 | C20 | C21 | H39 | 169.7° | 171.9° |
| C20 | C22 | H40 | H41 | 120.0° | 119.9° |
| C20 | C22 | H40 | H42 | 120.1° | 120.1° |
| C20 | C22 | H41 | H42 | 120.0° | 120.0° |
| H36 | C20 | C21 | H37 | 55.0° | 171.9° |
| H36 | C20 | C21 | H38 | 175.0° | 51.9° |
| H36 | C20 | C21 | H39 | 64.9° | 68.1° |
| H36 | C20 | C22 | H40 | 60.5° | 52.0° |
| H36 | C20 | C22 | H41 | 59.5° | 67.9° |
| H36 | C20 | C22 | H42 | 179.5° | 172.1° |
| H37 | C21 | H38 | H39 | 120.0° | 120.1° |
| H40 | C22 | H41 | H42 | 120.0° | 120.1° |
| O4 | C23 | N5 | C24 | 177.5° | 152.0° |
| O4 | C23 | N5 | C25 | 1.6° | 29.3° |
| C24 | N5 | C25 | C23 | 179.1° | 178.8° |
| N5 | C24 | H43 | H44 | 120.0° | 120.0° |
| N5 | C24 | H43 | H45 | 119.9° | 119.9° |
| N5 | C24 | H44 | H45 | 119.9° | 120.0° |
| C24 | N5 | C25 | C26 | 70.7° | 87.3° |
| C24 | N5 | C25 | C27 | 52.7° | 148.0° |
| C24 | N5 | C25 | H46 | 173.2° | 29.3° |
| C25 | N5 | C24 | H43 | 180.0° | 173.5° |
| C25 | N5 | C24 | H44 | 59.9° | 53.5° |
| C25 | N5 | C24 | H45 | 60.0° | 66.6° |
| N5 | C25 | C26 | C27 | 124.2° | 125.4° |
| N5 | C25 | C26 | H46 | 116.6° | 116.4° |
| N5 | C25 | C27 | H46 | 121.1° | 118.3° |
| N5 | C25 | C26 | O5 | 3.9° | 20.9° |
| N5 | C25 | C27 | O6 | 69.8° | 86.6° |
| N5 | C25 | C27 | C28 | 47.2° | 33.4° |
| N5 | C25 | C27 | H47 | 168.0° | 153.4° |
| N5 | C25 | C26 | N6 | 173.4° | 159.2° |
| H43 | C24 | H44 | H45 | 120.0° | 120.0° |
| H43 | C24 | N5 | C23 | 1.0° | 5.2° |
| H44 | C24 | N5 | C23 | 119.1° | 125.2° |
| H45 | C24 | N5 | C23 | 121.0° | 114.7° |
| C26 | C25 | C27 | H46 | 119.5° | 118.0° |
| C25 | C26 | O5 | N6 | 176.8° | 179.9° |
| C26 | C25 | C27 | O6 | 49.6° | 37.1° |
| C26 | C25 | C27 | C28 | 166.6° | 157.1° |
| C26 | C25 | C27 | H47 | 72.6° | 82.9° |
| C25 | C26 | N6 | C34 | 174.0° | 159.9° |
| C25 | C26 | N6 | H60 | 6.0° | 19.8° |
| C26 | C25 | N5 | C23 | 108.4° | 93.9° |
| C27 | C25 | C26 | O5 | 120.3° | 104.6° |
| C25 | C27 | O6 | C28 | 115.0° | 120.0° |
| C25 | C27 | O6 | H47 | 120.7° | 119.9° |
| C25 | C27 | C28 | H47 | 120.8° | 120.0° |
| C25 | C27 | O6 | H48 | 171.6° | 45.5° |
| C25 | C27 | C28 | C29 | 63.6° | 60.0° |
| C25 | C27 | C28 | C30 | 177.4° | 180.0° |
| C25 | C27 | C28 | H49 | 56.8° | 59.9° |
| C27 | C25 | N5 | C23 | 128.2° | 30.8° |
| C27 | C25 | C26 | N6 | 62.4° | 75.3° |
| H46 | C25 | C26 | O5 | 120.5° | 137.3° |
| H46 | C25 | C27 | O6 | 169.1° | 155.1° |
| H46 | C25 | C27 | C28 | 73.9° | 84.9° |
| H46 | C25 | C27 | H47 | 46.9° | 35.1° |
| H46 | C25 | N5 | C23 | 7.7° | 149.5° |
| H46 | C25 | C26 | N6 | 56.8° | 42.9° |
| O5 | C26 | N6 | C34 | 3.4° | 20.2° |
| O5 | C26 | N6 | H60 | 176.7° | 160.1° |
| O6 | C27 | C28 | H47 | 125.5° | 120.0° |
| O6 | C27 | C28 | C29 | 177.3° | 180.0° |
| O6 | C27 | C28 | C30 | 63.7° | 60.0° |
| O6 | C27 | C28 | H49 | 56.9° | 60.0° |
| C28 | C27 | O6 | H48 | 73.4° | 74.5° |
| C27 | C28 | C29 | C30 | 119.5° | 120.0° |
| C27 | C28 | C29 | H49 | 120.3° | 120.0° |
| C27 | C28 | C30 | H49 | 120.6° | 120.0° |
| C27 | C28 | C29 | H50 | 179.9° | 180.0° |
| C27 | C28 | C29 | H51 | 59.9° | 60.0° |
| C27 | C28 | C29 | H52 | 60.0° | 60.0° |
| C27 | C28 | C30 | C31 | 48.6° | 175.0° |
| C27 | C28 | C30 | H53 | 168.6° | 55.0° |
| C27 | C28 | C30 | H54 | 71.4° | 65.0° |
| H47 | C27 | O6 | H48 | 50.9° | 165.5° |
| H47 | C27 | C28 | C29 | 57.2° | 60.0° |
| H47 | C27 | C28 | C30 | 61.8° | 60.0° |
| H47 | C27 | C28 | H49 | 177.5° | 179.9° |
| C29 | C28 | C30 | H49 | 120.2° | 120.0° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.1° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| C29 | C28 | C30 | C31 | 70.6° | 65.0° |
| C29 | C28 | C30 | H53 | 49.4° | 175.0° |
| C29 | C28 | C30 | H54 | 169.4° | 55.0° |
| C30 | C28 | C29 | H50 | 60.4° | 60.0° |
| C30 | C28 | C29 | H51 | 59.6° | 60.0° |
| C30 | C28 | C29 | H52 | 179.5° | 180.0° |
| C28 | C30 | C31 | H53 | 120.0° | 120.0° |
| C28 | C30 | C31 | H54 | 120.0° | 120.0° |
| C28 | C30 | H53 | H54 | 119.9° | 120.0° |
| C28 | C30 | C31 | C32 | 135.5° | 125.0° |
| C28 | C30 | C31 | H55 | 44.5° | 55.1° |
| H49 | C28 | C29 | H50 | 59.8° | 60.0° |
| H49 | C28 | C29 | H51 | 179.8° | 180.0° |
| H49 | C28 | C29 | H52 | 60.3° | 60.0° |
| H49 | C28 | C30 | C31 | 169.2° | 55.0° |
| H49 | C28 | C30 | H53 | 70.8° | 65.0° |
| H49 | C28 | C30 | H54 | 49.2° | 175.0° |
| H50 | C29 | H51 | H52 | 120.0° | 120.1° |
| C31 | C30 | H53 | H54 | 120.0° | 120.1° |
| C30 | C31 | C32 | H55 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 179.0° | 180.0° |
| C30 | C31 | C32 | H56 | 1.0° | 0.0° |
| H53 | C30 | C31 | C32 | 104.5° | 5.1° |
| H53 | C30 | C31 | H55 | 75.4° | 175.0° |
| H54 | C30 | C31 | C32 | 15.4° | 115.0° |
| H54 | C30 | C31 | H55 | 164.6° | 64.9° |
| C31 | C32 | C33 | H56 | 179.9° | 180.0° |
| C31 | C32 | C33 | H57 | 180.0° | 60.0° |
| C31 | C32 | C33 | H58 | 60.1° | 180.0° |
| C31 | C32 | C33 | H59 | 60.0° | 60.0° |
| H55 | C31 | C32 | C33 | 1.0° | 0.1° |
| H55 | C31 | C32 | H56 | 179.0° | 179.9° |
| C32 | C33 | H57 | H58 | 119.9° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 120.0° |
| C32 | C33 | H58 | H59 | 120.0° | 120.0° |
| H56 | C32 | C33 | H57 | 0.0° | 120.0° |
| H56 | C32 | C33 | H58 | 120.0° | 0.0° |
| H56 | C32 | C33 | H59 | 119.9° | 120.0° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
| C34 | N6 | H60 | C26 | 180.0° | 179.6° |
| N6 | C34 | C35 | C36 | 116.5° | 119.1° |
| N6 | C34 | C35 | H61 | 121.7° | 120.6° |
| N6 | C34 | C36 | H61 | 123.5° | 117.9° |
| N6 | C34 | C35 | O7 | 92.4° | 26.4° |
| N6 | C34 | C36 | C37 | 61.2° | 65.0° |
| N6 | C34 | C36 | H62 | 58.3° | 55.0° |
| N6 | C34 | C36 | H63 | 179.4° | 175.0° |
| N6 | C34 | C35 | N7 | 85.9° | 152.8° |
| H60 | N6 | C34 | C35 | 52.9° | 77.3° |
| H60 | N6 | C34 | C36 | 63.2° | 42.3° |
| H60 | N6 | C34 | H61 | 174.0° | 160.4° |
| C35 | C34 | C36 | H61 | 122.0° | 121.7° |
| C34 | C35 | O7 | N7 | 178.1° | 179.3° |
| C35 | C34 | C36 | C37 | 175.6° | 174.6° |
| C35 | C34 | C36 | H62 | 56.2° | 65.4° |
| C35 | C34 | C36 | H63 | 64.9° | 54.6° |
| C34 | C35 | N7 | C38 | 0.8° | 19.6° |
| C34 | C35 | N7 | C39 | 178.0° | 158.8° |
| C35 | C34 | N6 | C26 | 127.1° | 103.1° |
| C36 | C34 | C35 | O7 | 24.1° | 92.7° |
| C34 | C36 | C37 | H62 | 119.4° | 120.0° |
| C34 | C36 | C37 | H63 | 119.5° | 120.0° |
| C34 | C36 | H62 | H63 | 121.7° | 120.0° |
| C34 | C36 | C37 | H64 | 180.0° | 180.0° |
| C34 | C36 | C37 | H65 | 60.0° | 60.0° |
| C34 | C36 | C37 | H66 | 59.9° | 60.0° |
| C36 | C34 | N6 | C26 | 116.8° | 137.4° |
| C36 | C34 | C35 | N7 | 157.6° | 88.0° |
| H61 | C34 | C35 | O7 | 145.9° | 147.0° |
| H61 | C34 | C36 | C37 | 62.4° | 52.9° |
| H61 | C34 | C36 | H62 | 178.2° | 172.9° |
| H61 | C34 | C36 | H63 | 57.1° | 67.1° |
| H61 | C34 | N6 | C26 | 6.0° | 19.3° |
| H61 | C34 | C35 | N7 | 35.8° | 32.2° |
| O7 | C35 | N7 | C38 | 179.1° | 159.6° |
| O7 | C35 | N7 | C39 | 3.7° | 21.9° |
| C37 | C36 | H62 | H63 | 121.7° | 120.0° |
| C36 | C37 | H64 | H65 | 120.0° | 120.0° |
| C36 | C37 | H64 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H66 | 119.9° | 119.9° |
| H62 | C36 | C37 | H64 | 60.6° | 60.0° |
| H62 | C36 | C37 | H65 | 179.4° | 180.0° |
| H62 | C36 | C37 | H66 | 59.5° | 60.0° |
| H63 | C36 | C37 | H64 | 60.5° | 60.0° |
| H63 | C36 | C37 | H65 | 59.5° | 60.0° |
| H63 | C36 | C37 | H66 | 179.4° | 180.0° |
| H64 | C37 | H65 | H66 | 120.1° | 120.1° |
| O8 | C41 | C39 | N8 | 178.5° | 178.6° |
| O8 | C41 | C39 | C40 | 11.9° | 54.9° |
| O8 | C41 | C39 | N7 | 103.7° | 64.0° |
| O8 | C41 | C39 | H70 | 134.8° | 174.6° |
| O8 | C41 | N8 | C42 | 179.1° | 177.8° |
| O8 | C41 | N8 | C43 | 0.3° | 2.5° |
| C41 | C39 | N7 | C38 | 39.4° | 13.7° |
| C41 | C39 | C40 | N7 | 113.1° | 120.1° |
| C41 | C39 | C40 | H70 | 123.1° | 122.0° |
| C41 | C39 | N7 | H70 | 120.8° | 123.4° |
| C41 | C39 | C40 | H71 | 180.0° | 179.9° |
| C41 | C39 | C40 | H72 | 60.0° | 59.8° |
| C41 | C39 | C40 | H73 | 60.1° | 60.1° |
| C39 | C41 | N8 | C42 | 2.4° | 3.7° |
| C39 | C41 | N8 | C43 | 178.9° | 176.1° |
| C41 | C39 | N7 | C35 | 143.4° | 167.9° |
| C38 | N7 | C39 | C40 | 76.6° | 105.3° |
| C38 | N7 | C39 | C35 | 177.1° | 178.4° |
| N7 | C38 | H67 | H68 | 120.0° | 120.1° |
| N7 | C38 | H67 | H69 | 120.0° | 119.9° |
| N7 | C38 | H68 | H69 | 120.0° | 120.0° |
| C38 | N7 | C39 | H70 | 160.3° | 137.0° |
| C40 | C39 | N7 | H70 | 123.1° | 117.6° |
| C39 | C40 | H71 | H72 | 120.0° | 120.0° |
| C39 | C40 | H71 | H73 | 119.9° | 120.0° |
| C39 | C40 | H72 | H73 | 120.0° | 119.9° |
| C40 | C39 | N7 | C35 | 100.5° | 73.1° |
| C40 | C39 | C41 | N8 | 166.6° | 123.7° |
| C39 | N7 | C38 | H67 | 180.0° | 178.4° |
| C39 | N7 | C38 | H68 | 60.0° | 58.4° |
| C39 | N7 | C38 | H69 | 60.0° | 61.7° |
| N7 | C39 | C40 | H71 | 66.9° | 60.0° |
| N7 | C39 | C40 | H72 | 173.1° | 180.0° |
| N7 | C39 | C40 | H73 | 53.0° | 60.1° |
| N7 | C39 | C41 | N8 | 77.8° | 117.4° |
| H67 | C38 | H68 | H69 | 120.0° | 119.9° |
| H67 | C38 | N7 | C35 | 3.2° | 0.1° |
| H68 | C38 | N7 | C35 | 116.8° | 119.9° |
| H69 | C38 | N7 | C35 | 123.2° | 120.0° |
| H70 | C39 | C40 | H71 | 56.9° | 57.9° |
| H70 | C39 | C40 | H72 | 63.1° | 62.1° |
| H70 | C39 | C40 | H73 | 176.8° | 178.0° |
| H70 | C39 | N7 | C35 | 22.6° | 44.5° |
| H70 | C39 | C41 | N8 | 43.7° | 4.0° |
| H71 | C40 | H72 | H73 | 120.0° | 120.1° |
| C46 | C44 | C45 | C43 | 114.8° | 120.0° |
| C46 | C44 | C45 | H77 | 125.2° | 120.0° |
| C46 | C44 | C43 | H77 | 122.5° | 120.0° |
| C46 | C44 | C43 | N8 | 71.0° | 173.5° |
| C46 | C44 | C43 | C47 | 177.5° | 53.8° |
| C46 | C44 | C43 | H76 | 51.9° | 65.8° |
| C46 | C44 | C45 | H78 | 180.0° | 59.5° |
| C46 | C44 | C45 | H79 | 60.0° | 60.6° |
| C46 | C44 | C45 | H80 | 60.0° | 179.5° |
| C44 | C46 | H81 | H82 | 120.0° | 120.0° |
| C44 | C46 | H81 | H83 | 120.0° | 120.0° |
| C44 | C46 | H82 | H83 | 120.0° | 120.0° |
| C48 | C42 | N8 | H74 | 120.4° | 120.0° |
| C48 | C42 | N8 | H75 | 120.4° | 120.0° |
| C48 | C42 | N8 | C43 | 102.2° | 97.1° |
| C48 | C42 | H74 | H75 | 118.8° | 120.1° |
| C42 | C48 | H84 | H85 | 120.0° | 120.0° |
| C42 | C48 | H84 | H86 | 120.0° | 119.9° |
| C42 | C48 | H85 | H86 | 120.0° | 120.0° |
| C48 | C42 | N8 | C41 | 79.2° | 83.2° |
| C45 | C44 | C43 | H77 | 119.8° | 120.0° |
| C45 | C44 | C43 | N8 | 171.4° | 53.5° |
| C45 | C44 | C43 | C47 | 59.9° | 66.2° |
| C45 | C44 | C43 | H76 | 65.7° | 174.2° |
| C44 | C45 | H78 | H79 | 120.0° | 120.0° |
| C44 | C45 | H78 | H80 | 120.0° | 120.0° |
| C44 | C45 | H79 | H80 | 120.0° | 120.0° |
| C45 | C44 | C46 | H81 | 180.0° | 64.8° |
| C45 | C44 | C46 | H82 | 60.1° | 175.2° |
| C45 | C44 | C46 | H83 | 60.0° | 55.2° |
| C44 | C43 | N8 | C42 | 48.9° | 117.3° |
| C44 | C43 | N8 | C47 | 119.3° | 118.6° |
| C44 | C43 | N8 | H76 | 122.4° | 120.6° |
| C44 | C43 | C47 | H76 | 125.6° | 119.5° |
| C44 | C43 | C47 | O9 | 42.4° | 25.1° |
| C43 | C44 | C45 | H78 | 65.2° | 60.5° |
| C43 | C44 | C45 | H79 | 54.8° | 179.4° |
| C43 | C44 | C45 | H80 | 174.8° | 59.5° |
| C43 | C44 | C46 | H81 | 67.8° | 55.2° |
| C43 | C44 | C46 | H82 | 172.2° | 64.8° |
| C43 | C44 | C46 | H83 | 52.1° | 175.2° |
| C44 | C43 | N8 | C41 | 132.3° | 62.4° |
| C44 | C43 | C47 | N9 | 140.9° | 154.2° |
| C42 | N8 | C43 | C41 | 178.7° | 179.8° |
| C42 | N8 | C43 | C47 | 70.4° | 1.3° |
| N8 | C42 | H74 | H75 | 118.8° | 119.9° |
| C42 | N8 | C43 | H76 | 171.3° | 122.1° |
| N8 | C42 | C48 | H84 | 180.0° | 180.0° |
| N8 | C42 | C48 | H85 | 60.0° | 60.0° |
| N8 | C42 | C48 | H86 | 60.0° | 60.1° |
| N8 | C43 | C47 | H76 | 118.7° | 120.8° |
| N8 | C43 | C47 | O9 | 73.4° | 94.6° |
| C43 | N8 | C42 | H74 | 18.2° | 23.0° |
| C43 | N8 | C42 | H75 | 137.4° | 142.9° |
| N8 | C43 | C44 | H77 | 51.6° | 66.5° |
| N8 | C43 | C47 | N9 | 103.3° | 86.1° |
| C43 | C47 | O9 | N9 | 176.2° | 179.2° |
| C47 | C43 | C44 | H77 | 60.0° | 173.8° |
| C43 | C47 | N9 | C49 | 178.2° | 173.0° |
| C43 | C47 | N9 | H87 | 1.8° | 7.0° |
| C47 | C43 | N8 | C41 | 108.3° | 179.0° |
| O9 | C47 | C43 | H76 | 167.9° | 144.6° |
| O9 | C47 | N9 | C49 | 1.5° | 6.3° |
| O9 | C47 | N9 | H87 | 178.5° | 173.7° |
| H74 | C42 | C48 | H84 | 59.6° | 60.0° |
| H74 | C42 | C48 | H85 | 60.4° | 180.0° |
| H74 | C42 | C48 | H86 | 179.6° | 59.9° |
| H74 | C42 | N8 | C41 | 160.4° | 156.8° |
| H75 | C42 | C48 | H84 | 59.6° | 60.1° |
| H75 | C42 | C48 | H85 | 179.6° | 60.0° |
| H75 | C42 | C48 | H86 | 60.4° | 180.0° |
| H75 | C42 | N8 | C41 | 41.2° | 36.8° |
| H76 | C43 | C44 | H77 | 174.4° | 54.2° |
| H76 | C43 | N8 | C41 | 9.9° | 58.2° |
| H76 | C43 | C47 | N9 | 15.4° | 34.7° |
| H77 | C44 | C45 | H78 | 54.9° | 179.5° |
| H77 | C44 | C45 | H79 | 174.8° | 59.4° |
| H77 | C44 | C45 | H80 | 65.1° | 60.5° |
| H77 | C44 | C46 | H81 | 54.9° | 175.2° |
| H77 | C44 | C46 | H82 | 65.1° | 55.2° |
| H77 | C44 | C46 | H83 | 174.9° | 64.8° |
| H78 | C45 | H79 | H80 | 120.1° | 120.0° |
| H81 | C46 | H82 | H83 | 120.0° | 120.0° |
| H84 | C48 | H85 | H86 | 120.0° | 120.0° |
| C49 | N9 | H87 | C47 | 180.0° | 180.0° |
| N9 | C49 | C50 | C51 | 113.8° | 124.9° |
| N9 | C49 | C50 | H88 | 122.2° | 117.3° |
| N9 | C49 | C51 | H88 | 125.7° | 117.3° |
| N9 | C49 | C50 | O10 | 46.0° | 99.0° |
| N9 | C49 | C51 | C52 | 172.4° | 82.9° |
| N9 | C49 | C51 | C53 | 68.0° | 37.1° |
| N9 | C49 | C51 | H89 | 51.5° | 157.1° |
| N9 | C49 | C50 | N10 | 133.6° | 80.1° |
| H87 | N9 | C49 | C50 | 102.3° | 33.0° |
| H87 | N9 | C49 | C51 | 11.6° | 92.3° |
| H87 | N9 | C49 | H88 | 136.3° | 150.4° |
| C50 | C49 | C51 | H88 | 124.2° | 117.7° |
| C49 | C50 | O10 | N10 | 179.6° | 179.1° |
| C50 | C49 | C51 | C52 | 62.3° | 152.1° |
| C50 | C49 | C51 | C53 | 178.1° | 87.9° |
| C50 | C49 | C51 | H89 | 58.5° | 32.1° |
| C49 | C50 | N10 | C54 | 0.5° | 28.8° |
| C49 | C50 | N10 | C55 | 179.7° | 150.3° |
| C50 | C49 | N9 | C47 | 77.7° | 147.0° |
| C51 | C49 | C50 | O10 | 67.8° | 136.2° |
| C49 | C51 | C52 | C53 | 116.5° | 120.0° |
| C49 | C51 | C52 | H89 | 120.8° | 120.0° |
| C49 | C51 | C53 | H89 | 119.4° | 120.0° |
| C49 | C51 | C52 | H90 | 180.0° | 56.9° |
| C49 | C51 | C52 | H91 | 59.9° | 176.9° |
| C49 | C51 | C52 | H92 | 60.0° | 63.1° |
| C49 | C51 | C53 | H93 | 180.0° | 79.9° |
| C49 | C51 | C53 | H94 | 60.0° | 160.0° |
| C49 | C51 | C53 | H95 | 59.9° | 40.1° |
| C51 | C49 | N9 | C47 | 168.4° | 87.7° |
| C51 | C49 | C50 | N10 | 112.6° | 44.8° |
| H88 | C49 | C50 | O10 | 168.2° | 18.4° |
| H88 | C49 | C51 | C52 | 61.9° | 34.4° |
| H88 | C49 | C51 | C53 | 57.7° | 154.4° |
| H88 | C49 | C51 | H89 | 177.2° | 85.6° |
| H88 | C49 | N9 | C47 | 43.7° | 29.6° |
| H88 | C49 | C50 | N10 | 11.4° | 162.6° |
| O10 | C50 | N10 | C54 | 179.9° | 150.3° |
| O10 | C50 | N10 | C55 | 0.7° | 30.7° |
| C52 | C51 | C53 | H89 | 122.6° | 120.0° |
| C51 | C52 | H90 | H91 | 120.0° | 119.9° |
| C51 | C52 | H90 | H92 | 120.0° | 120.1° |
| C51 | C52 | H91 | H92 | 119.9° | 120.0° |
| C52 | C51 | C53 | H93 | 62.0° | 160.1° |
| C52 | C51 | C53 | H94 | 58.0° | 40.1° |
| C52 | C51 | C53 | H95 | 177.9° | 79.9° |
| C53 | C51 | C52 | H90 | 63.5° | 63.0° |
| C53 | C51 | C52 | H91 | 176.4° | 56.9° |
| C53 | C51 | C52 | H92 | 56.5° | 176.9° |
| C51 | C53 | H93 | H94 | 120.0° | 120.0° |
| C51 | C53 | H93 | H95 | 120.0° | 120.0° |
| C51 | C53 | H94 | H95 | 120.0° | 120.0° |
| H89 | C51 | C52 | H90 | 59.2° | 176.9° |
| H89 | C51 | C52 | H91 | 60.9° | 63.1° |
| H89 | C51 | C52 | H92 | 179.2° | 56.9° |
| H89 | C51 | C53 | H93 | 60.6° | 40.1° |
| H89 | C51 | C53 | H94 | 179.4° | 80.0° |
| H89 | C51 | C53 | H95 | 59.5° | 160.1° |
| H90 | C52 | H91 | H92 | 120.0° | 120.0° |
| H93 | C53 | H94 | H95 | 120.0° | 120.0° |
| C54 | N10 | C55 | C50 | 179.2° | 179.1° |
| N10 | C54 | H96 | H97 | 120.0° | 119.9° |
| N10 | C54 | H96 | H98 | 120.1° | 120.0° |
| N10 | C54 | H97 | H98 | 120.0° | 120.0° |
| C54 | N10 | C55 | C56 | 49.8° | 80.6° |
| C54 | N10 | C55 | C60 | 65.9° | 41.7° |
| C54 | N10 | C55 | H99 | 173.3° | 160.9° |
| C55 | N10 | C54 | H96 | 180.0° | 174.7° |
| C55 | N10 | C54 | H97 | 60.0° | 54.7° |
| C55 | N10 | C54 | H98 | 60.0° | 65.3° |
| N10 | C55 | C56 | C60 | 112.2° | 121.7° |
| N10 | C55 | C56 | H99 | 124.4° | 118.4° |
| N10 | C55 | C60 | H99 | 121.6° | 119.0° |
| N10 | C55 | C56 | C57 | 64.6° | 65.0° |
| N10 | C55 | C56 | H100 | 54.8° | 55.1° |
| N10 | C55 | C56 | H101 | 176.0° | 175.0° |
| N10 | C55 | C60 | O11 | 8.0° | 82.9° |
| N10 | C55 | C60 | N11 | 173.2° | 97.2° |
| H96 | C54 | H97 | H98 | 120.0° | 120.1° |
| H96 | C54 | N10 | C50 | 0.9° | 6.4° |
| H97 | C54 | N10 | C50 | 119.1° | 126.3° |
| H98 | C54 | N10 | C50 | 120.9° | 113.7° |
| C56 | C55 | C60 | H99 | 123.3° | 119.8° |
| C55 | C56 | C57 | H100 | 119.4° | 120.0° |
| C55 | C56 | C57 | H101 | 119.4° | 120.0° |
| C55 | C56 | H100 | H101 | 121.8° | 119.9° |
| C55 | C56 | C57 | C58 | 64.2° | 175.0° |
| C55 | C56 | C57 | C59 | 174.9° | 65.0° |
| C55 | C56 | C57 | H102 | 57.2° | 55.0° |
| C56 | C55 | C60 | O11 | 107.1° | 155.9° |
| C56 | C55 | N10 | C50 | 131.0° | 98.5° |
| C56 | C55 | C60 | N11 | 71.7° | 24.1° |
| C60 | C55 | C56 | C57 | 176.8° | 173.4° |
| C60 | C55 | C56 | H100 | 57.4° | 66.6° |
| C60 | C55 | C56 | H101 | 63.8° | 53.3° |
| C55 | C60 | O11 | N11 | 178.6° | 179.9° |
| C55 | C60 | N11 | C61 | 178.3° | 175.1° |
| C55 | C60 | N11 | H109 | 1.7° | 5.7° |
| C60 | C55 | N10 | C50 | 113.4° | 139.2° |
| H99 | C55 | C56 | C57 | 59.8° | 53.5° |
| H99 | C55 | C56 | H100 | 179.2° | 173.5° |
| H99 | C55 | C56 | H101 | 59.6° | 66.6° |
| H99 | C55 | C60 | O11 | 129.7° | 36.1° |
| H99 | C55 | N10 | C50 | 7.4° | 20.0° |
| H99 | C55 | C60 | N11 | 51.6° | 143.8° |
| C57 | C56 | H100 | H101 | 121.7° | 120.1° |
| C56 | C57 | C58 | C59 | 115.7° | 120.0° |
| C56 | C57 | C58 | H102 | 121.4° | 120.0° |
| C56 | C57 | C59 | H102 | 117.5° | 120.0° |
| C56 | C57 | C58 | H103 | 180.0° | 60.0° |
| C56 | C57 | C58 | H104 | 60.0° | 180.0° |
| C56 | C57 | C58 | H105 | 60.0° | 60.0° |
| C56 | C57 | C59 | H106 | 180.0° | 60.0° |
| C56 | C57 | C59 | H107 | 60.0° | 180.0° |
| C56 | C57 | C59 | H108 | 60.0° | 60.0° |
| H100 | C56 | C57 | C58 | 176.4° | 55.0° |
| H100 | C56 | C57 | C59 | 55.5° | 175.0° |
| H100 | C56 | C57 | H102 | 62.2° | 65.0° |
| H101 | C56 | C57 | C58 | 55.2° | 65.0° |
| H101 | C56 | C57 | C59 | 65.7° | 55.0° |
| H101 | C56 | C57 | H102 | 176.7° | 174.9° |
| C58 | C57 | C59 | H102 | 122.8° | 120.0° |
| C57 | C58 | H103 | H104 | 120.0° | 120.0° |
| C57 | C58 | H103 | H105 | 120.0° | 120.0° |
| C57 | C58 | H104 | H105 | 120.0° | 120.0° |
| C58 | C57 | C59 | H106 | 60.3° | 180.0° |
| C58 | C57 | C59 | H107 | 179.8° | 60.0° |
| C58 | C57 | C59 | H108 | 59.7° | 60.0° |
| C59 | C57 | C58 | H103 | 64.3° | 60.0° |
| C59 | C57 | C58 | H104 | 55.6° | 60.0° |
| C59 | C57 | C58 | H105 | 175.6° | 180.0° |
| C57 | C59 | H106 | H107 | 120.0° | 120.0° |
| C57 | C59 | H106 | H108 | 120.0° | 120.0° |
| C57 | C59 | H107 | H108 | 120.0° | 120.0° |
| H102 | C57 | C58 | H103 | 58.6° | 180.0° |
| H102 | C57 | C58 | H104 | 178.6° | 60.0° |
| H102 | C57 | C58 | H105 | 61.5° | 60.0° |
| H102 | C57 | C59 | H106 | 62.5° | 60.0° |
| H102 | C57 | C59 | H107 | 57.5° | 60.0° |
| H102 | C57 | C59 | H108 | 177.5° | 179.9° |
| H103 | C58 | H104 | H105 | 120.0° | 119.9° |
| H106 | C59 | H107 | H108 | 120.0° | 120.0° |
| O11 | C60 | N11 | C61 | 0.5° | 4.8° |
| O11 | C60 | N11 | H109 | 179.5° | 174.3° |
| C61 | N11 | H109 | C60 | 179.9° | 179.1° |
| N11 | C61 | C62 | C63 | 112.2° | 119.9° |
| N11 | C61 | C62 | H110 | 121.5° | 119.9° |
| N11 | C61 | C63 | H110 | 125.0° | 120.0° |
| N11 | C61 | C62 | O12 | 5.4° | 114.1° |
| N11 | C61 | C63 | H111 | 179.9° | 60.0° |
| N11 | C61 | C63 | H112 | 60.0° | 180.0° |
| N11 | C61 | C63 | H113 | 60.0° | 60.0° |
| N11 | C61 | C62 | N1 | 174.2° | 65.6° |
| H109 | N11 | C61 | C62 | 105.1° | 64.4° |
| H109 | N11 | C61 | C63 | 10.6° | 55.9° |
| H109 | N11 | C61 | H110 | 134.6° | 175.7° |
| C62 | C61 | C63 | H110 | 126.3° | 120.3° |
| C61 | C62 | O12 | N1 | 179.6° | 179.7° |
| C62 | C61 | C63 | H111 | 71.3° | 59.6° |
| C62 | C61 | C63 | H112 | 168.7° | 60.4° |
| C62 | C61 | C63 | H113 | 48.7° | 179.7° |
| C62 | C61 | N11 | C60 | 74.9° | 114.8° |
| C63 | C61 | C62 | O12 | 117.7° | 126.0° |
| C61 | C63 | H111 | H112 | 120.0° | 120.0° |
| C61 | C63 | H111 | H113 | 120.0° | 120.0° |
| C61 | C63 | H112 | H113 | 120.0° | 119.9° |
| C63 | C61 | C62 | N1 | 62.0° | 54.3° |
| C63 | C61 | N11 | C60 | 169.5° | 125.0° |
| H110 | C61 | C62 | O12 | 116.0° | 5.9° |
| H110 | C61 | C63 | H111 | 55.0° | 180.0° |
| H110 | C61 | C63 | H112 | 65.0° | 60.0° |
| H110 | C61 | C63 | H113 | 175.0° | 60.0° |
| H110 | C61 | C62 | N1 | 64.3° | 174.4° |
| H110 | C61 | N11 | C60 | 45.5° | 5.1° |
| H111 | C63 | H112 | H113 | 119.9° | 120.1° |
