PRD_000767
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.47Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H2 | sing | 1.15Å | 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 | 1.24Å | |
| N2 | C4 | sing | 1.43Å | 1.50Å | |
| N2 | C5 | sing | 1.55Å | 1.47Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.52Å | 1.56Å | |
| C5 | C10 | sing | 1.54Å | 1.53Å | |
| C5 | H9 | sing | 1.05Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C7 | C9 | sing | 1.53Å | 1.50Å | |
| 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 | 1.25Å | 1.24Å | |
| N3 | C11 | sing | 1.52Å | 1.51Å | |
| N3 | C12 | sing | 1.49Å | 1.45Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.50Å | 1.55Å | |
| C12 | C17 | sing | 1.41Å | 1.52Å | |
| C12 | H22 | sing | 1.11Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| 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 | 1.28Å | 1.24Å | |
| N4 | C18 | sing | 1.51Å | 1.50Å | |
| N4 | C19 | sing | 1.47Å | 1.48Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.60Å | 1.59Å | |
| C19 | C23 | sing | 1.56Å | 1.52Å | |
| C19 | H35 | sing | 1.06Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| 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 | 1.27Å | 1.25Å | |
| N5 | C24 | sing | 1.52Å | 1.50Å | |
| N5 | C25 | sing | 1.46Å | 1.45Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.57Å | 1.51Å | |
| C25 | C27 | sing | 1.58Å | 1.60Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | O5 | doub | 1.18Å | 1.24Å | |
| C27 | O6 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.56Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.31Å | 1.32Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| N6 | C34 | sing | 1.51Å | 1.44Å | |
| N6 | H60 | sing | 1.04Å | 1.00Å | |
| C34 | C35 | sing | 1.46Å | 1.51Å | |
| C34 | C36 | sing | 1.52Å | 1.54Å | |
| C34 | H61 | sing | 1.14Å | 1.10Å | |
| C35 | O7 | doub | 1.24Å | 1.24Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| N7 | C38 | sing | 1.49Å | 1.48Å | |
| N7 | C41 | sing | 1.48Å | 1.51Å | |
| C38 | C39 | sing | 1.50Å | 1.51Å | |
| C38 | C40 | sing | 1.50Å | 1.52Å | |
| C38 | H67 | sing | 1.05Å | 1.10Å | |
| C39 | O8 | doub | 1.24Å | 1.24Å | |
| C40 | O9 | sing | 1.43Å | 1.42Å | |
| C40 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| O9 | H73 | sing | 0.97Å | 0.95Å | |
| N8 | C42 | sing | 1.45Å | 1.51Å | |
| N8 | C43 | sing | 1.55Å | 1.46Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.55Å | 1.52Å | |
| C43 | C48 | sing | 1.46Å | 1.53Å | |
| C43 | H77 | sing | 1.02Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C44 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.51Å | |
| C45 | C47 | sing | 1.53Å | 1.51Å | |
| 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 | |
| C47 | H84 | sing | 1.09Å | 1.10Å | |
| C47 | H85 | sing | 1.09Å | 1.10Å | |
| C47 | H86 | sing | 1.09Å | 1.10Å | |
| C48 | O10 | doub | 1.17Å | 1.24Å | |
| N9 | C49 | sing | 1.46Å | 1.46Å | |
| N9 | H87 | sing | 1.00Å | 1.00Å | |
| C49 | C50 | sing | 1.57Å | 1.51Å | |
| C49 | C51 | sing | 1.48Å | 1.54Å | |
| C49 | H88 | sing | 1.12Å | 1.10Å | |
| C50 | O11 | doub | 1.17Å | 1.23Å | |
| C51 | C52 | sing | 1.53Å | 1.50Å | |
| C51 | C53 | sing | 1.53Å | 1.52Å | |
| 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 | 1.41Å | 1.50Å | |
| N10 | C55 | sing | 1.46Å | 1.46Å | |
| C54 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C54 | H98 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.58Å | 1.56Å | |
| C55 | C60 | sing | 1.49Å | 1.53Å | |
| C55 | H99 | sing | 1.07Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.56Å | |
| C56 | H100 | sing | 1.09Å | 1.10Å | |
| C56 | H101 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | C59 | sing | 1.53Å | 1.53Å | |
| 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 | O12 | doub | 1.25Å | 1.24Å | |
| N11 | C61 | sing | 1.46Å | 1.44Å | |
| N11 | H109 | sing | 1.02Å | 1.00Å | |
| C61 | C62 | sing | 1.54Å | 1.51Å | |
| C61 | C63 | sing | 1.55Å | 1.52Å | |
| C61 | H110 | sing | 1.12Å | 1.10Å | |
| C62 | O13 | doub | 1.16Å | 1.24Å | |
| C63 | H111 | sing | 1.09Å | 1.10Å | |
| C63 | H112 | sing | 1.09Å | 1.10Å | |
| C63 | H113 | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.30Å | 1.34Å | |
| N1 | C62 | sing | 1.37Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.35Å | |
| C17 | N4 | sing | 1.35Å | 1.35Å | |
| C23 | N5 | sing | 1.28Å | 1.34Å | |
| C26 | N6 | sing | 1.35Å | 1.33Å | |
| C35 | N7 | sing | 1.36Å | 1.34Å | |
| C39 | N8 | sing | 1.34Å | 1.34Å | |
| C48 | N9 | sing | 1.42Å | 1.34Å | |
| C50 | N10 | sing | 1.39Å | 1.32Å | |
| C60 | N11 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 121.3° | 118.5° |
| N1 | C1 | C2 | 111.3° | 112.6° |
| N1 | C1 | C3 | 103.4° | 109.8° |
| N1 | C1 | H2 | 111.4° | 110.2° |
| C1 | N1 | C62 | 117.4° | 116.5° |
| H1 | N1 | C62 | 121.3° | 125.0° |
| C2 | C1 | C3 | 109.6° | 110.0° |
| C2 | C1 | H2 | 110.4° | 110.2° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C3 | C1 | H2 | 110.5° | 103.7° |
| C1 | C3 | O1 | 117.8° | 116.2° |
| C1 | C3 | N2 | 119.7° | 127.7° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H3 | C2 | H5 | 109.4° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| O1 | C3 | N2 | 122.4° | 115.9° |
| C4 | N2 | C5 | 120.2° | 119.5° |
| N2 | C4 | H6 | 109.5° | 109.4° |
| N2 | C4 | H7 | 109.4° | 109.5° |
| N2 | C4 | H8 | 109.5° | 109.5° |
| C4 | N2 | C3 | 121.3° | 122.6° |
| N2 | C5 | C6 | 109.3° | 109.3° |
| N2 | C5 | C10 | 115.0° | 106.2° |
| N2 | C5 | H9 | 107.9° | 110.6° |
| C5 | N2 | C3 | 118.3° | 117.7° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| C6 | C5 | C10 | 110.1° | 110.4° |
| C6 | C5 | H9 | 106.9° | 108.9° |
| C5 | C6 | C7 | 113.3° | 109.5° |
| C5 | C6 | H10 | 108.5° | 109.5° |
| C5 | C6 | H11 | 108.5° | 109.4° |
| C10 | C5 | H9 | 107.3° | 111.4° |
| C5 | C10 | O2 | 117.3° | 118.8° |
| C5 | C10 | N3 | 120.6° | 120.7° |
| C7 | C6 | H10 | 108.5° | 109.5° |
| C7 | C6 | H11 | 108.5° | 109.4° |
| C6 | C7 | C8 | 108.3° | 109.5° |
| C6 | C7 | C9 | 110.4° | 109.5° |
| C6 | C7 | H12 | 108.0° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | C7 | C9 | 113.4° | 109.5° |
| C8 | C7 | H12 | 108.4° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.4° | 109.5° |
| C7 | C8 | H15 | 109.4° | 109.5° |
| C9 | C7 | H12 | 108.2° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.5° |
| C7 | C9 | H18 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.4° |
| O2 | C10 | N3 | 122.1° | 119.9° |
| C11 | N3 | C12 | 118.2° | 120.6° |
| N3 | C11 | H19 | 109.5° | 109.5° |
| N3 | C11 | H20 | 109.5° | 109.5° |
| N3 | C11 | H21 | 109.4° | 109.4° |
| C11 | N3 | C10 | 125.0° | 122.9° |
| N3 | C12 | C13 | 109.4° | 111.2° |
| N3 | C12 | C17 | 111.0° | 110.9° |
| N3 | C12 | H22 | 109.2° | 107.1° |
| C12 | N3 | C10 | 116.7° | 115.7° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H21 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| C13 | C12 | C17 | 110.9° | 111.7° |
| C13 | C12 | H22 | 107.9° | 105.1° |
| C12 | C13 | C14 | 120.9° | 109.5° |
| C12 | C13 | H23 | 106.6° | 109.4° |
| C12 | C13 | H24 | 106.5° | 109.4° |
| C17 | C12 | H22 | 108.3° | 110.7° |
| C12 | C17 | O3 | 120.7° | 120.9° |
| C12 | C17 | N4 | 118.1° | 125.3° |
| C14 | C13 | H23 | 106.5° | 109.5° |
| C14 | C13 | H24 | 106.5° | 109.5° |
| C13 | C14 | C15 | 109.3° | 109.4° |
| C13 | C14 | C16 | 110.7° | 109.5° |
| C13 | C14 | H25 | 109.3° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| C15 | C14 | C16 | 108.5° | 109.5° |
| C15 | C14 | H25 | 109.5° | 109.4° |
| C14 | C15 | H26 | 109.5° | 109.4° |
| C14 | C15 | H27 | 109.4° | 109.4° |
| C14 | C15 | H28 | 109.4° | 109.5° |
| C16 | C14 | H25 | 109.6° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.4° |
| C14 | C16 | H31 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.4° |
| H26 | C15 | H28 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H31 | 109.4° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| O3 | C17 | N4 | 121.2° | 113.5° |
| C18 | N4 | C19 | 119.8° | 118.5° |
| N4 | C18 | H32 | 109.5° | 109.5° |
| N4 | C18 | H33 | 109.5° | 109.5° |
| N4 | C18 | H34 | 109.5° | 109.4° |
| C18 | N4 | C17 | 120.5° | 122.2° |
| N4 | C19 | C20 | 113.0° | 109.1° |
| N4 | C19 | C23 | 108.7° | 108.6° |
| N4 | C19 | H35 | 109.6° | 111.1° |
| C19 | N4 | C17 | 118.1° | 119.3° |
| H32 | C18 | H33 | 109.4° | 109.5° |
| H32 | C18 | H34 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| C20 | C19 | C23 | 108.2° | 110.6° |
| C20 | C19 | H35 | 108.2° | 109.0° |
| C19 | C20 | C21 | 109.3° | 109.5° |
| C19 | C20 | C22 | 112.4° | 109.5° |
| C19 | C20 | H36 | 109.2° | 109.5° |
| C23 | C19 | H35 | 109.0° | 108.4° |
| C19 | C23 | O4 | 121.0° | 116.2° |
| C19 | C23 | N5 | 116.7° | 122.8° |
| C21 | C20 | C22 | 105.3° | 109.5° |
| C21 | C20 | H36 | 110.5° | 109.4° |
| C20 | C21 | H37 | 109.5° | 109.4° |
| C20 | C21 | H38 | 109.4° | 109.5° |
| C20 | C21 | H39 | 109.5° | 109.4° |
| C22 | C20 | H36 | 110.1° | 109.5° |
| C20 | C22 | H40 | 109.5° | 109.5° |
| C20 | C22 | H41 | 109.4° | 109.5° |
| C20 | C22 | H42 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.4° | 109.5° |
| H37 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H40 | C22 | H41 | 109.5° | 109.5° |
| H40 | C22 | H42 | 109.5° | 109.4° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| O4 | C23 | N5 | 122.3° | 120.9° |
| C24 | N5 | C25 | 120.6° | 119.8° |
| N5 | C24 | H43 | 109.5° | 109.5° |
| N5 | C24 | H44 | 109.5° | 109.5° |
| N5 | C24 | H45 | 109.5° | 109.5° |
| C24 | N5 | C23 | 123.9° | 125.0° |
| N5 | C25 | C26 | 112.4° | 110.8° |
| N5 | C25 | C27 | 112.0° | 106.8° |
| N5 | C25 | H46 | 108.0° | 110.6° |
| C25 | N5 | C23 | 114.1° | 115.1° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| H43 | C24 | H45 | 109.5° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.4° |
| C26 | C25 | C27 | 110.6° | 110.5° |
| C26 | C25 | H46 | 107.3° | 108.0° |
| C25 | C26 | O5 | 124.0° | 118.0° |
| C25 | C26 | N6 | 113.3° | 121.0° |
| C27 | C25 | H46 | 106.2° | 110.2° |
| C25 | C27 | O6 | 109.4° | 109.4° |
| C25 | C27 | C28 | 111.6° | 109.5° |
| C25 | C27 | H47 | 108.0° | 109.5° |
| O5 | C26 | N6 | 122.5° | 120.6° |
| O6 | C27 | C28 | 109.2° | 109.5° |
| O6 | C27 | H47 | 110.3° | 109.5° |
| C27 | O6 | H48 | 109.5° | 114.0° |
| C28 | C27 | H47 | 108.3° | 109.5° |
| C27 | C28 | C29 | 108.9° | 109.5° |
| C27 | C28 | C30 | 111.8° | 109.5° |
| C27 | C28 | H49 | 108.5° | 109.5° |
| C29 | C28 | C30 | 110.2° | 109.5° |
| C29 | C28 | H49 | 108.9° | 109.4° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H51 | 109.5° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.5° |
| C30 | C28 | H49 | 108.6° | 109.4° |
| C28 | C30 | C31 | 116.1° | 109.5° |
| C28 | C30 | H53 | 107.8° | 109.5° |
| C28 | C30 | H54 | 107.8° | 109.4° |
| H50 | C29 | H51 | 109.5° | 109.4° |
| H50 | C29 | H52 | 109.4° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.4° |
| C31 | C30 | H53 | 107.8° | 109.5° |
| C31 | C30 | H54 | 107.8° | 109.5° |
| C30 | C31 | C32 | 123.0° | 120.0° |
| C30 | C31 | H55 | 118.5° | 120.0° |
| H53 | C30 | H54 | 109.4° | 109.5° |
| C32 | C31 | H55 | 118.5° | 120.0° |
| C31 | C32 | C33 | 121.7° | 120.0° |
| C31 | C32 | H56 | 119.2° | 120.0° |
| C33 | C32 | H56 | 119.1° | 120.0° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C33 | H58 | 109.5° | 109.5° |
| C32 | C33 | H59 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.4° | 109.4° |
| H57 | C33 | H59 | 109.5° | 109.5° |
| H58 | C33 | H59 | 109.5° | 109.4° |
| C34 | N6 | H60 | 120.7° | 118.5° |
| N6 | C34 | C35 | 108.2° | 109.5° |
| N6 | C34 | C36 | 108.1° | 105.1° |
| N6 | C34 | H61 | 110.2° | 105.4° |
| C34 | N6 | C26 | 118.6° | 119.1° |
| H60 | N6 | C26 | 120.7° | 122.4° |
| C35 | C34 | C36 | 112.2° | 114.9° |
| C35 | C34 | H61 | 109.2° | 112.7° |
| C34 | C35 | O7 | 120.3° | 118.2° |
| C34 | C35 | N7 | 119.5° | 122.9° |
| C36 | C34 | H61 | 108.9° | 108.7° |
| C34 | C36 | C37 | 113.8° | 109.5° |
| C34 | C36 | H62 | 108.4° | 109.5° |
| C34 | C36 | H63 | 108.4° | 109.5° |
| O7 | C35 | N7 | 120.2° | 118.2° |
| C37 | C36 | H62 | 108.4° | 109.5° |
| C37 | C36 | H63 | 108.4° | 109.5° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.4° |
| H64 | C37 | H65 | 109.4° | 109.4° |
| H64 | C37 | H66 | 109.5° | 109.4° |
| H65 | C37 | H66 | 109.5° | 109.5° |
| C38 | N7 | C41 | 120.8° | 125.2° |
| N7 | C38 | C39 | 110.2° | 107.0° |
| N7 | C38 | C40 | 109.2° | 106.2° |
| N7 | C38 | H67 | 109.3° | 111.1° |
| C38 | N7 | C35 | 114.9° | 112.9° |
| N7 | C41 | H70 | 109.5° | 109.5° |
| N7 | C41 | H71 | 109.5° | 109.5° |
| N7 | C41 | H72 | 109.5° | 109.5° |
| C41 | N7 | C35 | 124.2° | 121.7° |
| C39 | C38 | C40 | 110.8° | 110.1° |
| C39 | C38 | H67 | 108.7° | 108.4° |
| C38 | C39 | O8 | 117.8° | 121.1° |
| C38 | C39 | N8 | 120.9° | 122.8° |
| C40 | C38 | H67 | 108.6° | 113.8° |
| C38 | C40 | O9 | 109.2° | 109.5° |
| C38 | C40 | H68 | 109.6° | 109.4° |
| C38 | C40 | H69 | 109.5° | 109.4° |
| O8 | C39 | N8 | 121.2° | 116.1° |
| O9 | C40 | H68 | 109.5° | 109.5° |
| O9 | C40 | H69 | 109.5° | 109.5° |
| C40 | O9 | H73 | 109.5° | 114.0° |
| H68 | C40 | H69 | 109.5° | 109.5° |
| H70 | C41 | H71 | 109.5° | 109.5° |
| H70 | C41 | H72 | 109.5° | 109.4° |
| H71 | C41 | H72 | 109.4° | 109.4° |
| C42 | N8 | C43 | 118.6° | 120.6° |
| N8 | C42 | H74 | 109.5° | 109.4° |
| N8 | C42 | H75 | 109.5° | 109.5° |
| N8 | C42 | H76 | 109.5° | 109.5° |
| C42 | N8 | C39 | 124.3° | 123.0° |
| N8 | C43 | C44 | 110.7° | 107.8° |
| N8 | C43 | C48 | 109.2° | 108.7° |
| N8 | C43 | H77 | 109.5° | 107.9° |
| C43 | N8 | C39 | 116.5° | 115.9° |
| H74 | C42 | H75 | 109.4° | 109.5° |
| H74 | C42 | H76 | 109.5° | 109.5° |
| H75 | C42 | H76 | 109.4° | 109.5° |
| C44 | C43 | C48 | 110.2° | 110.7° |
| C44 | C43 | H77 | 108.6° | 107.1° |
| C43 | C44 | C45 | 114.6° | 109.5° |
| C43 | C44 | H78 | 108.2° | 109.5° |
| C43 | C44 | H79 | 108.1° | 109.5° |
| C48 | C43 | H77 | 108.6° | 114.4° |
| C43 | C48 | O10 | 119.9° | 117.8° |
| C43 | C48 | N9 | 119.2° | 122.0° |
| C45 | C44 | H78 | 108.2° | 109.4° |
| C45 | C44 | H79 | 108.2° | 109.5° |
| C44 | C45 | C46 | 109.7° | 109.5° |
| C44 | C45 | C47 | 110.1° | 109.5° |
| C44 | C45 | H80 | 109.4° | 109.5° |
| H78 | C44 | H79 | 109.5° | 109.4° |
| C46 | C45 | C47 | 108.3° | 109.5° |
| C46 | C45 | H80 | 109.7° | 109.4° |
| C45 | C46 | H81 | 109.5° | 109.5° |
| C45 | C46 | H82 | 109.5° | 109.5° |
| C45 | C46 | H83 | 109.4° | 109.5° |
| C47 | C45 | H80 | 109.7° | 109.5° |
| C45 | C47 | H84 | 109.5° | 109.5° |
| C45 | C47 | H85 | 109.5° | 109.5° |
| C45 | C47 | H86 | 109.5° | 109.5° |
| H81 | C46 | H82 | 109.5° | 109.5° |
| H81 | C46 | H83 | 109.5° | 109.4° |
| H82 | C46 | H83 | 109.5° | 109.5° |
| H84 | C47 | H85 | 109.5° | 109.5° |
| H84 | C47 | H86 | 109.5° | 109.5° |
| H85 | C47 | H86 | 109.5° | 109.4° |
| O10 | C48 | N9 | 120.9° | 120.2° |
| C49 | N9 | H87 | 119.8° | 122.5° |
| N9 | C49 | C50 | 107.5° | 105.1° |
| N9 | C49 | C51 | 108.9° | 114.2° |
| N9 | C49 | H88 | 110.1° | 108.5° |
| C49 | N9 | C48 | 120.5° | 121.3° |
| H87 | N9 | C48 | 119.7° | 116.2° |
| C50 | C49 | C51 | 111.9° | 111.3° |
| C50 | C49 | H88 | 109.4° | 106.2° |
| C49 | C50 | O11 | 116.3° | 119.1° |
| C49 | C50 | N10 | 125.5° | 119.1° |
| C51 | C49 | H88 | 109.0° | 111.1° |
| C49 | C51 | C52 | 109.3° | 109.5° |
| C49 | C51 | C53 | 111.3° | 109.5° |
| C49 | C51 | H89 | 109.2° | 109.5° |
| O11 | C50 | N10 | 118.2° | 121.8° |
| C52 | C51 | C53 | 107.8° | 109.5° |
| C52 | C51 | H89 | 109.7° | 109.4° |
| C51 | C52 | H90 | 109.5° | 109.4° |
| C51 | C52 | H91 | 109.5° | 109.5° |
| C51 | C52 | H92 | 109.5° | 109.5° |
| C53 | C51 | H89 | 109.4° | 109.5° |
| C51 | C53 | H93 | 109.5° | 109.5° |
| C51 | C53 | H94 | 109.4° | 109.5° |
| C51 | C53 | H95 | 109.5° | 109.4° |
| H90 | C52 | H91 | 109.5° | 109.5° |
| H90 | C52 | H92 | 109.4° | 109.4° |
| H91 | C52 | H92 | 109.5° | 109.5° |
| H93 | C53 | H94 | 109.5° | 109.5° |
| H93 | C53 | H95 | 109.5° | 109.4° |
| H94 | C53 | H95 | 109.5° | 109.5° |
| C54 | N10 | C55 | 121.6° | 124.8° |
| N10 | C54 | H96 | 109.5° | 109.4° |
| N10 | C54 | H97 | 109.4° | 109.4° |
| N10 | C54 | H98 | 109.5° | 109.5° |
| C54 | N10 | C50 | 121.8° | 123.8° |
| N10 | C55 | C56 | 110.8° | 103.6° |
| N10 | C55 | C60 | 109.6° | 112.8° |
| N10 | C55 | H99 | 109.3° | 108.4° |
| C55 | N10 | C50 | 116.0° | 111.2° |
| H96 | C54 | H97 | 109.5° | 109.5° |
| H96 | C54 | H98 | 109.4° | 109.5° |
| H97 | C54 | H98 | 109.5° | 109.5° |
| C56 | C55 | C60 | 110.9° | 110.9° |
| C56 | C55 | H99 | 107.9° | 108.6° |
| C55 | C56 | C57 | 122.1° | 109.5° |
| C55 | C56 | H100 | 106.2° | 109.5° |
| C55 | C56 | H101 | 106.2° | 109.5° |
| C60 | C55 | H99 | 108.3° | 112.2° |
| C55 | C60 | O12 | 122.1° | 116.2° |
| C55 | C60 | N11 | 118.7° | 121.4° |
| C57 | C56 | H100 | 106.2° | 109.5° |
| C57 | C56 | H101 | 106.2° | 109.5° |
| C56 | C57 | C58 | 109.4° | 109.5° |
| C56 | C57 | C59 | 109.8° | 109.5° |
| C56 | C57 | H102 | 108.2° | 109.5° |
| H100 | C56 | H101 | 109.5° | 109.5° |
| C58 | C57 | C59 | 112.2° | 109.5° |
| C58 | C57 | H102 | 108.5° | 109.5° |
| C57 | C58 | H103 | 109.5° | 109.5° |
| C57 | C58 | H104 | 109.5° | 109.4° |
| C57 | C58 | H105 | 109.5° | 109.5° |
| C59 | C57 | H102 | 108.6° | 109.5° |
| C57 | C59 | H106 | 109.5° | 109.5° |
| C57 | C59 | H107 | 109.4° | 109.5° |
| C57 | C59 | H108 | 109.5° | 109.4° |
| H103 | C58 | H104 | 109.5° | 109.4° |
| H103 | C58 | H105 | 109.5° | 109.5° |
| H104 | C58 | H105 | 109.5° | 109.5° |
| H106 | C59 | H107 | 109.5° | 109.5° |
| H106 | C59 | H108 | 109.5° | 109.5° |
| H107 | C59 | H108 | 109.5° | 109.4° |
| O12 | C60 | N11 | 119.2° | 122.5° |
| C61 | N11 | H109 | 120.0° | 124.2° |
| N11 | C61 | C62 | 108.9° | 110.1° |
| N11 | C61 | C63 | 111.2° | 108.4° |
| N11 | C61 | H110 | 110.4° | 110.6° |
| C61 | N11 | C60 | 120.0° | 114.7° |
| H109 | N11 | C60 | 120.0° | 121.1° |
| C62 | C61 | C63 | 107.6° | 108.7° |
| C62 | C61 | H110 | 109.4° | 110.1° |
| C61 | C62 | O13 | 123.0° | 119.9° |
| C61 | C62 | N1 | 114.8° | 117.3° |
| C63 | C61 | H110 | 109.4° | 108.8° |
| C61 | C63 | H111 | 109.5° | 109.5° |
| C61 | C63 | H112 | 109.5° | 109.4° |
| C61 | C63 | H113 | 109.5° | 109.5° |
| O13 | C62 | N1 | 122.1° | 122.5° |
| H111 | C63 | H112 | 109.5° | 109.5° |
| H111 | C63 | H113 | 109.5° | 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° | 179.3° |
| N1 | C1 | C2 | C3 | 113.8° | 122.8° |
| N1 | C1 | C2 | H2 | 124.3° | 123.5° |
| N1 | C1 | C3 | H2 | 119.3° | 117.7° |
| N1 | C1 | C2 | H3 | 180.0° | 81.2° |
| N1 | C1 | C2 | H4 | 60.0° | 158.8° |
| N1 | C1 | C2 | H5 | 60.0° | 38.8° |
| N1 | C1 | C3 | O1 | 32.2° | 37.2° |
| C1 | N1 | C62 | C61 | 177.9° | 179.1° |
| C1 | N1 | C62 | O13 | 2.0° | 7.5° |
| N1 | C1 | C3 | N2 | 146.4° | 147.8° |
| H1 | N1 | C1 | C2 | 24.7° | 82.7° |
| H1 | N1 | C1 | C3 | 92.9° | 40.2° |
| H1 | N1 | C1 | H2 | 148.5° | 153.8° |
| H1 | N1 | C62 | C61 | 2.1° | 0.2° |
| H1 | N1 | C62 | O13 | 178.0° | 173.2° |
| C2 | C1 | C3 | H2 | 121.9° | 117.9° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | C3 | O1 | 86.6° | 87.3° |
| C2 | C1 | C3 | N2 | 94.8° | 87.8° |
| C2 | C1 | N1 | C62 | 155.3° | 97.9° |
| C3 | C1 | C2 | H3 | 66.2° | 156.0° |
| C3 | C1 | C2 | H4 | 53.8° | 36.0° |
| C3 | C1 | C2 | H5 | 173.8° | 84.0° |
| C1 | C3 | O1 | N2 | 178.5° | 175.7° |
| C1 | C3 | N2 | C4 | 7.8° | 170.8° |
| C1 | C3 | N2 | C5 | 178.1° | 4.2° |
| C3 | C1 | N1 | C62 | 87.1° | 139.1° |
| H2 | C1 | C2 | H3 | 55.7° | 42.2° |
| H2 | C1 | C2 | H4 | 175.7° | 77.8° |
| H2 | C1 | C2 | H5 | 64.3° | 162.2° |
| H2 | C1 | C3 | O1 | 151.5° | 154.8° |
| H2 | C1 | C3 | N2 | 27.0° | 30.1° |
| H2 | C1 | N1 | C62 | 31.5° | 25.6° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| O1 | C3 | N2 | C4 | 170.8° | 14.1° |
| O1 | C3 | N2 | C5 | 3.4° | 170.9° |
| C4 | N2 | C5 | C3 | 174.2° | 175.1° |
| 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 | 69.0° | 32.4° |
| C4 | N2 | C5 | C10 | 55.4° | 86.7° |
| C4 | N2 | C5 | H9 | 175.1° | 152.4° |
| C5 | N2 | C4 | H6 | 180.0° | 179.9° |
| C5 | N2 | C4 | H7 | 60.0° | 60.1° |
| C5 | N2 | C4 | H8 | 60.0° | 59.9° |
| N2 | C5 | C6 | C10 | 127.2° | 116.4° |
| N2 | C5 | C6 | H9 | 116.6° | 121.0° |
| N2 | C5 | C10 | H9 | 120.1° | 120.4° |
| N2 | C5 | C6 | C7 | 68.5° | 165.8° |
| N2 | C5 | C6 | H10 | 52.1° | 45.8° |
| N2 | C5 | C6 | H11 | 171.0° | 74.2° |
| N2 | C5 | C10 | O2 | 104.3° | 35.2° |
| N2 | C5 | C10 | N3 | 76.0° | 153.6° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H6 | C4 | N2 | C3 | 6.0° | 5.0° |
| H7 | C4 | N2 | C3 | 114.0° | 125.1° |
| H8 | C4 | N2 | C3 | 126.0° | 114.9° |
| C6 | C5 | C10 | H9 | 116.0° | 121.2° |
| C5 | C6 | C7 | H10 | 120.6° | 120.0° |
| C5 | C6 | C7 | H11 | 120.6° | 120.0° |
| C5 | C6 | H10 | H11 | 118.2° | 119.9° |
| C5 | C6 | C7 | C8 | 169.1° | 65.3° |
| C5 | C6 | C7 | C9 | 66.1° | 174.7° |
| C5 | C6 | C7 | H12 | 52.0° | 54.6° |
| C6 | C5 | C10 | O2 | 19.7° | 83.2° |
| C6 | C5 | N2 | C3 | 116.8° | 142.7° |
| C6 | C5 | C10 | N3 | 160.0° | 88.0° |
| C10 | C5 | C6 | C7 | 164.3° | 77.7° |
| C10 | C5 | C6 | H10 | 75.1° | 162.2° |
| C10 | C5 | C6 | H11 | 43.7° | 42.3° |
| C5 | C10 | O2 | N3 | 179.7° | 171.2° |
| C5 | C10 | N3 | C11 | 1.1° | 8.9° |
| C5 | C10 | N3 | C12 | 175.4° | 161.1° |
| C10 | C5 | N2 | C3 | 118.8° | 98.2° |
| H9 | C5 | C6 | C7 | 48.1° | 44.9° |
| H9 | C5 | C6 | H10 | 168.7° | 75.2° |
| H9 | C5 | C6 | H11 | 72.4° | 164.8° |
| H9 | C5 | C10 | O2 | 135.7° | 155.7° |
| H9 | C5 | N2 | C3 | 0.8° | 22.7° |
| H9 | C5 | C10 | N3 | 44.1° | 33.2° |
| C7 | C6 | H10 | H11 | 118.2° | 120.0° |
| C6 | C7 | C8 | C9 | 122.9° | 120.0° |
| C6 | C7 | C8 | H12 | 116.9° | 120.0° |
| C6 | C7 | C9 | H12 | 118.0° | 120.1° |
| C6 | C7 | C8 | H13 | 180.0° | 173.2° |
| C6 | C7 | C8 | H14 | 60.0° | 53.2° |
| C6 | C7 | C8 | H15 | 60.0° | 66.7° |
| C6 | C7 | C9 | H16 | 180.0° | 60.0° |
| C6 | C7 | C9 | H17 | 60.0° | 180.0° |
| C6 | C7 | C9 | H18 | 60.0° | 60.0° |
| H10 | C6 | C7 | C8 | 48.6° | 54.7° |
| H10 | C6 | C7 | C9 | 173.3° | 65.3° |
| H10 | C6 | C7 | H12 | 68.6° | 174.7° |
| H11 | C6 | C7 | C8 | 70.3° | 174.7° |
| H11 | C6 | C7 | C9 | 54.5° | 54.7° |
| H11 | C6 | C7 | H12 | 172.6° | 65.3° |
| C8 | C7 | C9 | H12 | 120.3° | 119.9° |
| 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 | 61.7° | 60.0° |
| C8 | C7 | C9 | H18 | 178.3° | 60.0° |
| C9 | C7 | C8 | H13 | 57.1° | 66.7° |
| C9 | C7 | C8 | H14 | 177.1° | 173.3° |
| C9 | C7 | C8 | H15 | 62.9° | 53.3° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 120.0° |
| C7 | C9 | H17 | H18 | 120.0° | 120.0° |
| H12 | C7 | C8 | H13 | 63.1° | 53.2° |
| H12 | C7 | C8 | H14 | 56.9° | 66.8° |
| H12 | C7 | C8 | H15 | 176.9° | 173.3° |
| H12 | C7 | C9 | H16 | 62.0° | 60.1° |
| H12 | C7 | C9 | H17 | 178.0° | 60.0° |
| H12 | C7 | C9 | H18 | 58.0° | 179.9° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
| O2 | C10 | N3 | C11 | 178.6° | 162.2° |
| O2 | C10 | N3 | C12 | 4.9° | 27.8° |
| C11 | N3 | C12 | C10 | 176.7° | 170.3° |
| 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 | 55.9° | 119.1° |
| C11 | N3 | C12 | C17 | 66.8° | 5.8° |
| C11 | N3 | C12 | H22 | 173.8° | 126.6° |
| C12 | N3 | C11 | H19 | 180.0° | 170.5° |
| C12 | N3 | C11 | H20 | 60.0° | 69.4° |
| C12 | N3 | C11 | H21 | 60.0° | 50.5° |
| N3 | C12 | C13 | C17 | 122.8° | 124.4° |
| N3 | C12 | C13 | H22 | 118.7° | 115.5° |
| N3 | C12 | C17 | H22 | 119.8° | 118.7° |
| N3 | C12 | C13 | C14 | 64.4° | 81.0° |
| N3 | C12 | C13 | H23 | 57.2° | 159.0° |
| N3 | C12 | C13 | H24 | 174.1° | 39.1° |
| N3 | C12 | C17 | O3 | 12.6° | 66.7° |
| N3 | C12 | C17 | N4 | 166.6° | 120.2° |
| H19 | C11 | H20 | H21 | 120.0° | 120.0° |
| H19 | C11 | N3 | C10 | 3.6° | 1.0° |
| H20 | C11 | N3 | C10 | 123.6° | 121.0° |
| H21 | C11 | N3 | C10 | 116.5° | 119.0° |
| C13 | C12 | C17 | H22 | 118.3° | 116.8° |
| C12 | C13 | C14 | H23 | 121.6° | 120.0° |
| C12 | C13 | C14 | H24 | 121.6° | 120.0° |
| C12 | C13 | H23 | H24 | 114.8° | 119.9° |
| C12 | C13 | C14 | C15 | 179.4° | 174.8° |
| C12 | C13 | C14 | C16 | 61.1° | 54.8° |
| C12 | C13 | C14 | H25 | 59.6° | 65.2° |
| C13 | C12 | C17 | O3 | 109.3° | 57.8° |
| C13 | C12 | N3 | C10 | 120.8° | 51.2° |
| C13 | C12 | C17 | N4 | 71.6° | 115.3° |
| C17 | C12 | C13 | C14 | 172.9° | 43.4° |
| C17 | C12 | C13 | H23 | 65.5° | 76.6° |
| C17 | C12 | C13 | H24 | 51.3° | 163.5° |
| C12 | C17 | O3 | N4 | 179.1° | 173.9° |
| C12 | C17 | N4 | C18 | 17.1° | 3.7° |
| C12 | C17 | N4 | C19 | 177.4° | 178.9° |
| C17 | C12 | N3 | C10 | 116.4° | 176.0° |
| H22 | C12 | C13 | C14 | 54.4° | 163.5° |
| H22 | C12 | C13 | H23 | 175.9° | 43.5° |
| H22 | C12 | C13 | H24 | 67.2° | 76.4° |
| H22 | C12 | C17 | O3 | 132.4° | 174.6° |
| H22 | C12 | N3 | C10 | 2.9° | 63.1° |
| H22 | C12 | C17 | N4 | 46.7° | 1.5° |
| C14 | C13 | H23 | H24 | 114.8° | 120.1° |
| C13 | C14 | C15 | C16 | 120.8° | 120.0° |
| C13 | C14 | C15 | H25 | 119.6° | 120.0° |
| C13 | C14 | C16 | H25 | 120.6° | 120.1° |
| C13 | C14 | C15 | H26 | 180.0° | 62.0° |
| C13 | C14 | C15 | H27 | 60.0° | 178.1° |
| C13 | C14 | C15 | H28 | 60.0° | 58.0° |
| C13 | C14 | C16 | H29 | 180.0° | 31.9° |
| C13 | C14 | C16 | H30 | 60.0° | 88.1° |
| C13 | C14 | C16 | H31 | 60.0° | 151.9° |
| H23 | C13 | C14 | C15 | 57.8° | 65.2° |
| H23 | C13 | C14 | C16 | 177.3° | 174.8° |
| H23 | C13 | C14 | H25 | 62.0° | 54.7° |
| H24 | C13 | C14 | C15 | 59.0° | 54.8° |
| H24 | C13 | C14 | C16 | 60.4° | 65.2° |
| H24 | C13 | C14 | H25 | 178.8° | 174.7° |
| C15 | C14 | C16 | H25 | 119.5° | 120.0° |
| C14 | C15 | H26 | H27 | 120.0° | 119.9° |
| C14 | C15 | H26 | H28 | 120.0° | 120.0° |
| C14 | C15 | H27 | H28 | 120.0° | 120.1° |
| C15 | C14 | C16 | H29 | 60.1° | 88.1° |
| C15 | C14 | C16 | H30 | 59.9° | 151.9° |
| C15 | C14 | C16 | H31 | 179.9° | 31.9° |
| C16 | C14 | C15 | H26 | 59.2° | 58.0° |
| C16 | C14 | C15 | H27 | 179.2° | 61.9° |
| C16 | C14 | C15 | H28 | 60.8° | 178.0° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| C14 | C16 | H29 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| H25 | C14 | C15 | H26 | 60.3° | 178.0° |
| H25 | C14 | C15 | H27 | 59.7° | 58.1° |
| H25 | C14 | C15 | H28 | 179.6° | 62.0° |
| H25 | C14 | C16 | H29 | 59.4° | 151.9° |
| H25 | C14 | C16 | H30 | 179.4° | 31.9° |
| H25 | C14 | C16 | H31 | 60.6° | 88.0° |
| H26 | C15 | H27 | H28 | 120.0° | 120.0° |
| H29 | C16 | H30 | H31 | 119.9° | 120.0° |
| O3 | C17 | N4 | C18 | 162.1° | 177.3° |
| O3 | C17 | N4 | C19 | 3.4° | 5.3° |
| C18 | N4 | C19 | C17 | 165.6° | 177.5° |
| N4 | C18 | H32 | H33 | 120.0° | 120.0° |
| N4 | C18 | H32 | H34 | 120.0° | 119.9° |
| N4 | C18 | H33 | H34 | 120.0° | 119.9° |
| C18 | N4 | C19 | C20 | 50.1° | 20.2° |
| C18 | N4 | C19 | C23 | 70.1° | 100.4° |
| C18 | N4 | C19 | H35 | 170.8° | 140.4° |
| C19 | N4 | C18 | H32 | 180.0° | 117.7° |
| C19 | N4 | C18 | H33 | 60.0° | 2.4° |
| C19 | N4 | C18 | H34 | 60.0° | 122.4° |
| N4 | C19 | C20 | C23 | 120.5° | 119.4° |
| N4 | C19 | C20 | H35 | 121.5° | 121.5° |
| N4 | C19 | C23 | H35 | 119.4° | 120.8° |
| N4 | C19 | C20 | C21 | 171.4° | 176.2° |
| N4 | C19 | C20 | C22 | 54.8° | 63.8° |
| N4 | C19 | C20 | H36 | 67.7° | 56.2° |
| N4 | C19 | C23 | O4 | 96.4° | 74.2° |
| N4 | C19 | C23 | N5 | 81.8° | 109.0° |
| H32 | C18 | H33 | H34 | 120.0° | 120.0° |
| H32 | C18 | N4 | C17 | 14.7° | 64.9° |
| H33 | C18 | N4 | C17 | 134.7° | 175.0° |
| H34 | C18 | N4 | C17 | 105.3° | 55.1° |
| C20 | C19 | C23 | H35 | 117.4° | 119.5° |
| C19 | C20 | C21 | C22 | 121.0° | 120.0° |
| C19 | C20 | C21 | H36 | 120.2° | 120.0° |
| C19 | C20 | C22 | H36 | 122.0° | 120.0° |
| 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 | 26.7° | 45.5° |
| C20 | C19 | N4 | C17 | 115.5° | 157.3° |
| C20 | C19 | C23 | N5 | 155.1° | 131.3° |
| C23 | C19 | C20 | C21 | 68.2° | 56.8° |
| C23 | C19 | C20 | C22 | 175.3° | 176.8° |
| C23 | C19 | C20 | H36 | 52.8° | 63.2° |
| C19 | C23 | O4 | N5 | 178.1° | 176.8° |
| C19 | C23 | N5 | C24 | 15.4° | 2.4° |
| C19 | C23 | N5 | C25 | 178.1° | 175.0° |
| C23 | C19 | N4 | C17 | 124.3° | 82.1° |
| H35 | C19 | C20 | C21 | 49.8° | 62.3° |
| H35 | C19 | C20 | C22 | 66.7° | 57.7° |
| H35 | C19 | C20 | H36 | 170.8° | 177.7° |
| H35 | C19 | C23 | O4 | 144.2° | 165.0° |
| H35 | C19 | N4 | C17 | 5.2° | 37.1° |
| H35 | C19 | C23 | N5 | 37.7° | 11.8° |
| C21 | C20 | C22 | H36 | 119.1° | 119.9° |
| C20 | C21 | H37 | H38 | 120.0° | 120.0° |
| C20 | C21 | H37 | H39 | 120.0° | 120.0° |
| C20 | C21 | H38 | H39 | 120.0° | 120.0° |
| C21 | C20 | C22 | H40 | 61.0° | 175.0° |
| C21 | C20 | C22 | H41 | 59.0° | 55.0° |
| C21 | C20 | C22 | H42 | 179.0° | 65.0° |
| C22 | C20 | C21 | H37 | 59.0° | 60.0° |
| C22 | C20 | C21 | H38 | 179.0° | 60.0° |
| C22 | C20 | C21 | H39 | 61.0° | 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 | 59.8° | 180.0° |
| H36 | C20 | C21 | H38 | 60.2° | 60.0° |
| H36 | C20 | C21 | H39 | 179.9° | 60.0° |
| H36 | C20 | C22 | H40 | 58.0° | 55.0° |
| H36 | C20 | C22 | H41 | 178.0° | 65.0° |
| H36 | C20 | C22 | H42 | 62.0° | 175.0° |
| H37 | C21 | H38 | H39 | 120.0° | 120.1° |
| H40 | C22 | H41 | H42 | 120.0° | 120.0° |
| O4 | C23 | N5 | C24 | 166.5° | 174.3° |
| O4 | C23 | N5 | C25 | 0.1° | 8.4° |
| C24 | N5 | C25 | C23 | 167.1° | 177.5° |
| N5 | C24 | H43 | H44 | 120.0° | 120.1° |
| N5 | C24 | H43 | H45 | 120.0° | 120.0° |
| N5 | C24 | H44 | H45 | 120.0° | 120.0° |
| C24 | N5 | C25 | C26 | 56.7° | 29.2° |
| C24 | N5 | C25 | C27 | 68.5° | 91.2° |
| C24 | N5 | C25 | H46 | 174.9° | 148.8° |
| C25 | N5 | C24 | H43 | 180.0° | 177.2° |
| C25 | N5 | C24 | H44 | 60.0° | 62.8° |
| C25 | N5 | C24 | H45 | 60.0° | 57.2° |
| N5 | C25 | C26 | C27 | 126.0° | 118.2° |
| N5 | C25 | C26 | H46 | 118.6° | 121.2° |
| N5 | C25 | C27 | H46 | 117.7° | 120.2° |
| N5 | C25 | C26 | O5 | 0.4° | 45.0° |
| N5 | C25 | C27 | O6 | 69.2° | 40.1° |
| N5 | C25 | C27 | C28 | 51.8° | 79.9° |
| N5 | C25 | C27 | H47 | 170.8° | 160.1° |
| N5 | C25 | C26 | N6 | 174.5° | 141.8° |
| H43 | C24 | H44 | H45 | 120.0° | 119.9° |
| H43 | C24 | N5 | C23 | 14.3° | 0.1° |
| H44 | C24 | N5 | C23 | 105.8° | 120.0° |
| H45 | C24 | N5 | C23 | 134.3° | 120.0° |
| C26 | C25 | C27 | H46 | 116.1° | 119.3° |
| C25 | C26 | O5 | N6 | 174.4° | 173.2° |
| C26 | C25 | C27 | O6 | 57.0° | 80.5° |
| C26 | C25 | C27 | C28 | 178.0° | 159.6° |
| C26 | C25 | C27 | H47 | 63.0° | 39.5° |
| C25 | C26 | N6 | C34 | 175.6° | 166.4° |
| C25 | C26 | N6 | H60 | 4.4° | 13.9° |
| C26 | C25 | N5 | C23 | 110.4° | 153.4° |
| C27 | C25 | C26 | O5 | 125.6° | 163.2° |
| C25 | C27 | O6 | C28 | 122.4° | 120.0° |
| C25 | C27 | O6 | H47 | 118.7° | 120.0° |
| C25 | C27 | C28 | H47 | 118.8° | 120.0° |
| C25 | C27 | O6 | H48 | 171.4° | 60.0° |
| C25 | C27 | C28 | C29 | 62.1° | 52.6° |
| C25 | C27 | C28 | C30 | 176.0° | 172.7° |
| C25 | C27 | C28 | H49 | 56.3° | 67.4° |
| C27 | C25 | N5 | C23 | 124.4° | 86.2° |
| C27 | C25 | C26 | N6 | 59.5° | 23.6° |
| H46 | C25 | C26 | O5 | 119.0° | 76.2° |
| H46 | C25 | C27 | O6 | 173.1° | 160.2° |
| H46 | C25 | C27 | C28 | 65.9° | 40.3° |
| H46 | C25 | C27 | H47 | 53.1° | 79.7° |
| H46 | C25 | N5 | C23 | 7.8° | 33.7° |
| H46 | C25 | C26 | N6 | 55.9° | 97.0° |
| O5 | C26 | N6 | C34 | 0.6° | 20.6° |
| O5 | C26 | N6 | H60 | 179.4° | 159.1° |
| O6 | C27 | C28 | H47 | 120.1° | 120.0° |
| O6 | C27 | C28 | C29 | 176.8° | 172.6° |
| O6 | C27 | C28 | C30 | 54.9° | 67.4° |
| O6 | C27 | C28 | H49 | 64.8° | 52.6° |
| C28 | C27 | O6 | H48 | 66.2° | 60.0° |
| C27 | C28 | C29 | C30 | 122.9° | 120.0° |
| C27 | C28 | C29 | H49 | 118.1° | 120.0° |
| C27 | C28 | C30 | H49 | 119.6° | 120.0° |
| C27 | C28 | C29 | H50 | 180.0° | 173.8° |
| C27 | C28 | C29 | H51 | 60.0° | 66.3° |
| C27 | C28 | C29 | H52 | 60.0° | 53.8° |
| C27 | C28 | C30 | C31 | 64.6° | 177.9° |
| C27 | C28 | C30 | H53 | 174.4° | 62.0° |
| C27 | C28 | C30 | H54 | 56.4° | 58.0° |
| H47 | C27 | O6 | H48 | 52.7° | 180.0° |
| H47 | C27 | C28 | C29 | 56.7° | 67.4° |
| H47 | C27 | C28 | C30 | 65.2° | 52.6° |
| H47 | C27 | C28 | H49 | 175.1° | 172.6° |
| C29 | C28 | C30 | H49 | 119.2° | 120.0° |
| C28 | C29 | H50 | H51 | 120.0° | 120.0° |
| C28 | C29 | H50 | H52 | 120.0° | 120.0° |
| C28 | C29 | H51 | H52 | 120.0° | 120.1° |
| C29 | C28 | C30 | C31 | 56.6° | 57.9° |
| C29 | C28 | C30 | H53 | 64.4° | 178.0° |
| C29 | C28 | C30 | H54 | 177.6° | 62.0° |
| C30 | C28 | C29 | H50 | 57.1° | 66.2° |
| C30 | C28 | C29 | H51 | 62.9° | 53.8° |
| C30 | C28 | C29 | H52 | 177.1° | 173.8° |
| C28 | C30 | C31 | H53 | 121.0° | 120.0° |
| C28 | C30 | C31 | H54 | 121.0° | 120.0° |
| C28 | C30 | H53 | H54 | 117.0° | 120.0° |
| C28 | C30 | C31 | C32 | 109.5° | 138.7° |
| C28 | C30 | C31 | H55 | 70.5° | 41.3° |
| H49 | C28 | C29 | H50 | 61.9° | 53.8° |
| H49 | C28 | C29 | H51 | 178.1° | 173.7° |
| H49 | C28 | C29 | H52 | 58.1° | 66.2° |
| H49 | C28 | C30 | C31 | 175.8° | 62.0° |
| H49 | C28 | C30 | H53 | 54.8° | 58.0° |
| H49 | C28 | C30 | H54 | 63.2° | 178.0° |
| H50 | C29 | H51 | H52 | 120.0° | 119.9° |
| C31 | C30 | H53 | H54 | 117.0° | 120.0° |
| C30 | C31 | C32 | H55 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 179.2° | 175.1° |
| C30 | C31 | C32 | H56 | 0.8° | 4.9° |
| H53 | C30 | C31 | C32 | 129.5° | 18.6° |
| H53 | C30 | C31 | H55 | 50.5° | 161.3° |
| H54 | C30 | C31 | C32 | 11.5° | 101.3° |
| H54 | C30 | C31 | H55 | 168.5° | 78.7° |
| C31 | C32 | C33 | H56 | 180.0° | 180.0° |
| C31 | C32 | C33 | H57 | 180.0° | 175.0° |
| C31 | C32 | C33 | H58 | 60.0° | 55.0° |
| C31 | C32 | C33 | H59 | 60.0° | 64.9° |
| H55 | C31 | C32 | C33 | 0.8° | 4.9° |
| H55 | C31 | C32 | H56 | 179.2° | 175.1° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 120.1° |
| C32 | C33 | H58 | H59 | 120.0° | 120.0° |
| H56 | C32 | C33 | H57 | 0.0° | 5.0° |
| H56 | C32 | C33 | H58 | 120.0° | 125.0° |
| H56 | C32 | C33 | H59 | 120.0° | 115.0° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
| C34 | N6 | H60 | C26 | 180.0° | 179.7° |
| N6 | C34 | C35 | C36 | 119.1° | 117.9° |
| N6 | C34 | C35 | H61 | 120.0° | 117.0° |
| N6 | C34 | C36 | H61 | 119.7° | 112.4° |
| N6 | C34 | C35 | O7 | 93.0° | 57.8° |
| N6 | C34 | C36 | C37 | 52.8° | 178.7° |
| N6 | C34 | C36 | H62 | 67.8° | 58.7° |
| N6 | C34 | C36 | H63 | 173.5° | 61.3° |
| N6 | C34 | C35 | N7 | 85.9° | 132.3° |
| H60 | N6 | C34 | C35 | 58.5° | 19.3° |
| H60 | N6 | C34 | C36 | 63.2° | 104.5° |
| H60 | N6 | C34 | H61 | 177.8° | 140.8° |
| C35 | C34 | C36 | H61 | 121.0° | 127.2° |
| C34 | C35 | O7 | N7 | 178.9° | 170.5° |
| C35 | C34 | C36 | C37 | 172.0° | 61.0° |
| C35 | C34 | C36 | H62 | 51.4° | 179.0° |
| C35 | C34 | C36 | H63 | 67.3° | 59.1° |
| C34 | C35 | N7 | C38 | 177.2° | 166.0° |
| C34 | C35 | N7 | C41 | 6.6° | 18.3° |
| C35 | C34 | N6 | C26 | 121.5° | 161.0° |
| C36 | C34 | C35 | O7 | 26.2° | 60.1° |
| C34 | C36 | C37 | H62 | 120.6° | 120.0° |
| C34 | C36 | C37 | H63 | 120.6° | 120.0° |
| C34 | C36 | H62 | H63 | 118.0° | 120.0° |
| C34 | C36 | C37 | H64 | 180.0° | 65.1° |
| C34 | C36 | C37 | H65 | 60.0° | 54.9° |
| C34 | C36 | C37 | H66 | 60.0° | 175.0° |
| C36 | C34 | N6 | C26 | 116.8° | 75.1° |
| C36 | C34 | C35 | N7 | 155.0° | 109.9° |
| H61 | C34 | C35 | O7 | 147.0° | 174.7° |
| H61 | C34 | C36 | C37 | 66.9° | 66.3° |
| H61 | C34 | C36 | H62 | 172.4° | 53.7° |
| H61 | C34 | C36 | H63 | 53.7° | 173.7° |
| H61 | C34 | N6 | C26 | 2.2° | 39.6° |
| H61 | C34 | C35 | N7 | 34.1° | 15.3° |
| O7 | C35 | N7 | C38 | 1.6° | 4.0° |
| O7 | C35 | N7 | C41 | 174.5° | 171.7° |
| C37 | C36 | H62 | H63 | 118.1° | 120.0° |
| C36 | C37 | H64 | H65 | 120.0° | 120.0° |
| C36 | C37 | H64 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H66 | 120.0° | 120.1° |
| H62 | C36 | C37 | H64 | 59.4° | 175.0° |
| H62 | C36 | C37 | H65 | 179.4° | 65.1° |
| H62 | C36 | C37 | H66 | 60.6° | 55.0° |
| H63 | C36 | C37 | H64 | 59.3° | 55.0° |
| H63 | C36 | C37 | H65 | 60.6° | 174.9° |
| H63 | C36 | C37 | H66 | 179.4° | 65.0° |
| H64 | C37 | H65 | H66 | 120.0° | 119.9° |
| C38 | N7 | C41 | C35 | 176.0° | 175.1° |
| N7 | C38 | C39 | C40 | 121.0° | 115.0° |
| N7 | C38 | C39 | H67 | 119.8° | 120.0° |
| N7 | C38 | C40 | H67 | 119.1° | 122.6° |
| N7 | C38 | C39 | O8 | 100.1° | 89.2° |
| N7 | C38 | C40 | O9 | 144.6° | 64.9° |
| N7 | C38 | C40 | H68 | 95.5° | 55.0° |
| N7 | C38 | C40 | H69 | 24.6° | 175.0° |
| C38 | N7 | C41 | H70 | 180.0° | 175.1° |
| C38 | N7 | C41 | H71 | 60.0° | 64.8° |
| C38 | N7 | C41 | H72 | 60.0° | 55.1° |
| N7 | C38 | C39 | N8 | 77.3° | 89.5° |
| C41 | N7 | C38 | C39 | 48.6° | 25.4° |
| C41 | N7 | C38 | C40 | 73.2° | 92.2° |
| C41 | N7 | C38 | H67 | 168.1° | 143.6° |
| N7 | C41 | H70 | H71 | 120.0° | 120.0° |
| N7 | C41 | H70 | H72 | 120.0° | 120.0° |
| N7 | C41 | H71 | H72 | 120.0° | 120.0° |
| C39 | C38 | C40 | H67 | 119.3° | 122.0° |
| C38 | C39 | O8 | N8 | 177.3° | 178.7° |
| C39 | C38 | C40 | O9 | 93.9° | 50.5° |
| C39 | C38 | C40 | H68 | 26.1° | 170.5° |
| C39 | C38 | C40 | H69 | 146.2° | 69.5° |
| C38 | C39 | N8 | C42 | 4.3° | 3.0° |
| C38 | C39 | N8 | C43 | 174.7° | 169.3° |
| C39 | C38 | N7 | C35 | 135.0° | 150.1° |
| C40 | C38 | C39 | O8 | 20.9° | 25.8° |
| C38 | C40 | O9 | H68 | 120.0° | 120.0° |
| C38 | C40 | O9 | H69 | 119.9° | 120.0° |
| C38 | C40 | H68 | H69 | 120.1° | 120.0° |
| C38 | C40 | O9 | H73 | 180.0° | 180.0° |
| C40 | C38 | N7 | C35 | 103.1° | 92.3° |
| C40 | C38 | C39 | N8 | 161.8° | 155.5° |
| H67 | C38 | C39 | O8 | 140.2° | 150.9° |
| H67 | C38 | C40 | O9 | 25.5° | 172.5° |
| H67 | C38 | C40 | H68 | 145.4° | 67.5° |
| H67 | C38 | C40 | H69 | 94.5° | 52.5° |
| H67 | C38 | N7 | C35 | 15.6° | 31.9° |
| H67 | C38 | C39 | N8 | 42.5° | 30.5° |
| O8 | C39 | N8 | C42 | 173.0° | 175.7° |
| O8 | C39 | N8 | C43 | 2.5° | 12.0° |
| O9 | C40 | H68 | H69 | 120.1° | 120.1° |
| H68 | C40 | O9 | H73 | 60.0° | 60.0° |
| H69 | C40 | O9 | H73 | 60.1° | 60.0° |
| H70 | C41 | H71 | H72 | 120.0° | 120.0° |
| H70 | C41 | N7 | C35 | 4.0° | 0.0° |
| H71 | C41 | N7 | C35 | 116.0° | 120.1° |
| H72 | C41 | N7 | C35 | 124.0° | 120.0° |
| C42 | N8 | C43 | C39 | 171.0° | 172.5° |
| N8 | C42 | H74 | H75 | 120.0° | 120.0° |
| N8 | C42 | H74 | H76 | 120.0° | 120.0° |
| N8 | C42 | H75 | H76 | 120.0° | 120.0° |
| C42 | N8 | C43 | C44 | 53.1° | 36.5° |
| C42 | N8 | C43 | C48 | 68.4° | 83.6° |
| C42 | N8 | C43 | H77 | 172.9° | 151.8° |
| C43 | N8 | C42 | H74 | 180.0° | 177.1° |
| C43 | N8 | C42 | H75 | 60.0° | 62.9° |
| C43 | N8 | C42 | H76 | 60.0° | 57.1° |
| N8 | C43 | C44 | C48 | 120.9° | 118.8° |
| N8 | C43 | C44 | H77 | 120.3° | 115.9° |
| N8 | C43 | C48 | H77 | 119.3° | 120.7° |
| N8 | C43 | C44 | C45 | 167.8° | 171.9° |
| N8 | C43 | C44 | H78 | 47.0° | 51.9° |
| N8 | C43 | C44 | H79 | 71.5° | 68.1° |
| N8 | C43 | C48 | O10 | 80.1° | 43.5° |
| N8 | C43 | C48 | N9 | 100.3° | 135.3° |
| H74 | C42 | H75 | H76 | 120.0° | 120.0° |
| H74 | C42 | N8 | C39 | 9.7° | 5.2° |
| H75 | C42 | N8 | C39 | 110.3° | 125.2° |
| H76 | C42 | N8 | C39 | 129.8° | 114.8° |
| C44 | C43 | C48 | H77 | 118.8° | 121.1° |
| C43 | C44 | C45 | H78 | 120.8° | 120.0° |
| C43 | C44 | C45 | H79 | 120.7° | 120.1° |
| C43 | C44 | H78 | H79 | 117.6° | 120.0° |
| C43 | C44 | C45 | C46 | 62.4° | 61.2° |
| C43 | C44 | C45 | C47 | 178.6° | 178.8° |
| C43 | C44 | C45 | H80 | 57.9° | 58.7° |
| C44 | C43 | C48 | O10 | 41.7° | 161.8° |
| C44 | C43 | N8 | C39 | 135.9° | 136.0° |
| C44 | C43 | C48 | N9 | 137.8° | 17.0° |
| C48 | C43 | C44 | C45 | 71.4° | 69.4° |
| C48 | C43 | C44 | H78 | 167.9° | 170.7° |
| C48 | C43 | C44 | H79 | 49.4° | 50.7° |
| C43 | C48 | O10 | N9 | 179.6° | 178.8° |
| C43 | C48 | N9 | C49 | 174.7° | 105.6° |
| C43 | C48 | N9 | H87 | 5.3° | 73.6° |
| C48 | C43 | N8 | C39 | 102.6° | 103.9° |
| H77 | C43 | C44 | C45 | 47.5° | 55.9° |
| H77 | C43 | C44 | H78 | 73.3° | 64.0° |
| H77 | C43 | C44 | H79 | 168.2° | 176.0° |
| H77 | C43 | C48 | O10 | 160.6° | 77.1° |
| H77 | C43 | N8 | C39 | 16.1° | 20.7° |
| H77 | C43 | C48 | N9 | 19.0° | 104.1° |
| C45 | C44 | H78 | H79 | 117.7° | 120.0° |
| C44 | C45 | C46 | C47 | 120.1° | 120.0° |
| C44 | C45 | C46 | H80 | 120.2° | 120.0° |
| C44 | C45 | C47 | H80 | 120.4° | 120.0° |
| C44 | C45 | C46 | H81 | 180.0° | 175.2° |
| C44 | C45 | C46 | H82 | 60.0° | 55.2° |
| C44 | C45 | C46 | H83 | 60.0° | 64.8° |
| C44 | C45 | C47 | H84 | 180.0° | 60.0° |
| C44 | C45 | C47 | H85 | 60.0° | 180.0° |
| C44 | C45 | C47 | H86 | 60.0° | 60.0° |
| H78 | C44 | C45 | C46 | 58.3° | 58.8° |
| H78 | C44 | C45 | C47 | 60.7° | 61.2° |
| H78 | C44 | C45 | H80 | 178.7° | 178.7° |
| H79 | C44 | C45 | C46 | 176.8° | 178.7° |
| H79 | C44 | C45 | C47 | 57.8° | 58.7° |
| H79 | C44 | C45 | H80 | 62.8° | 61.3° |
| C46 | C45 | C47 | H80 | 119.7° | 120.0° |
| C45 | C46 | H81 | H82 | 120.0° | 120.1° |
| C45 | C46 | H81 | H83 | 120.0° | 119.9° |
| C45 | C46 | H82 | H83 | 120.0° | 120.0° |
| C46 | C45 | C47 | H84 | 60.1° | 180.0° |
| C46 | C45 | C47 | H85 | 59.9° | 60.0° |
| C46 | C45 | C47 | H86 | 179.9° | 60.0° |
| C47 | C45 | C46 | H81 | 59.9° | 64.7° |
| C47 | C45 | C46 | H82 | 179.9° | 175.2° |
| C47 | C45 | C46 | H83 | 60.1° | 55.2° |
| C45 | C47 | H84 | H85 | 120.0° | 120.0° |
| C45 | C47 | H84 | H86 | 120.0° | 120.0° |
| C45 | C47 | H85 | H86 | 120.0° | 120.0° |
| H80 | C45 | C46 | H81 | 59.9° | 55.3° |
| H80 | C45 | C46 | H82 | 60.1° | 64.8° |
| H80 | C45 | C46 | H83 | 179.8° | 175.2° |
| H80 | C45 | C47 | H84 | 59.6° | 60.0° |
| H80 | C45 | C47 | H85 | 179.6° | 60.0° |
| H80 | C45 | C47 | H86 | 60.4° | 180.0° |
| H81 | C46 | H82 | H83 | 120.0° | 120.0° |
| H84 | C47 | H85 | H86 | 120.0° | 120.0° |
| O10 | C48 | N9 | C49 | 5.7° | 73.2° |
| O10 | C48 | N9 | H87 | 174.3° | 107.6° |
| C49 | N9 | H87 | C48 | 180.0° | 179.2° |
| N9 | C49 | C50 | C51 | 119.6° | 124.2° |
| N9 | C49 | C50 | H88 | 119.5° | 114.8° |
| N9 | C49 | C51 | H88 | 120.1° | 123.1° |
| N9 | C49 | C50 | O11 | 50.6° | 39.3° |
| N9 | C49 | C51 | C52 | 176.9° | 67.5° |
| N9 | C49 | C51 | C53 | 57.8° | 172.5° |
| N9 | C49 | C51 | H89 | 63.1° | 52.5° |
| N9 | C49 | C50 | N10 | 126.9° | 142.6° |
| H87 | N9 | C49 | C50 | 104.4° | 32.5° |
| H87 | N9 | C49 | C51 | 17.0° | 154.8° |
| H87 | N9 | C49 | H88 | 136.5° | 80.7° |
| C50 | C49 | C51 | H88 | 121.1° | 118.1° |
| C49 | C50 | O11 | N10 | 177.7° | 178.0° |
| C50 | C49 | C51 | C52 | 64.4° | 51.3° |
| C50 | C49 | C51 | C53 | 176.5° | 68.7° |
| C50 | C49 | C51 | H89 | 55.6° | 171.3° |
| C49 | C50 | N10 | C54 | 11.2° | 2.3° |
| C49 | C50 | N10 | C55 | 177.5° | 177.4° |
| C50 | C49 | N9 | C48 | 75.6° | 148.4° |
| C51 | C49 | C50 | O11 | 69.0° | 84.8° |
| C49 | C51 | C52 | C53 | 121.2° | 120.1° |
| C49 | C51 | C52 | H89 | 119.7° | 120.0° |
| C49 | C51 | C53 | H89 | 120.8° | 120.0° |
| C49 | C51 | C52 | H90 | 180.0° | 55.7° |
| C49 | C51 | C52 | H91 | 60.0° | 175.7° |
| C49 | C51 | C52 | H92 | 60.0° | 64.3° |
| C49 | C51 | C53 | H93 | 180.0° | 64.8° |
| C49 | C51 | C53 | H94 | 60.0° | 175.1° |
| C49 | C51 | C53 | H95 | 60.0° | 55.1° |
| C51 | C49 | N9 | C48 | 163.0° | 26.1° |
| C51 | C49 | C50 | N10 | 113.5° | 93.2° |
| H88 | C49 | C50 | O11 | 170.1° | 154.2° |
| H88 | C49 | C51 | C52 | 56.7° | 169.4° |
| H88 | C49 | C51 | C53 | 62.3° | 49.4° |
| H88 | C49 | C51 | H89 | 176.7° | 70.6° |
| H88 | C49 | N9 | C48 | 43.5° | 98.4° |
| H88 | C49 | C50 | N10 | 7.4° | 27.8° |
| O11 | C50 | N10 | C54 | 171.4° | 175.7° |
| O11 | C50 | N10 | C55 | 0.1° | 0.6° |
| C52 | C51 | C53 | H89 | 119.3° | 120.0° |
| C51 | C52 | H90 | H91 | 120.0° | 120.0° |
| C51 | C52 | H90 | H92 | 120.0° | 120.0° |
| C51 | C52 | H91 | H92 | 120.0° | 120.1° |
| C52 | C51 | C53 | H93 | 60.1° | 175.2° |
| C52 | C51 | C53 | H94 | 59.9° | 55.1° |
| C52 | C51 | C53 | H95 | 179.9° | 64.9° |
| C53 | C51 | C52 | H90 | 58.8° | 64.4° |
| C53 | C51 | C52 | H91 | 178.8° | 55.6° |
| C53 | C51 | C52 | H92 | 61.2° | 175.7° |
| C51 | C53 | H93 | H94 | 120.0° | 120.1° |
| C51 | C53 | H93 | H95 | 120.0° | 119.9° |
| C51 | C53 | H94 | H95 | 120.0° | 120.0° |
| H89 | C51 | C52 | H90 | 60.3° | 175.7° |
| H89 | C51 | C52 | H91 | 59.7° | 64.4° |
| H89 | C51 | C52 | H92 | 179.7° | 55.7° |
| H89 | C51 | C53 | H93 | 59.2° | 55.2° |
| H89 | C51 | C53 | H94 | 179.2° | 64.9° |
| H89 | C51 | C53 | H95 | 60.8° | 175.1° |
| H90 | C52 | H91 | H92 | 120.0° | 120.0° |
| H93 | C53 | H94 | H95 | 120.0° | 120.0° |
| C54 | N10 | C55 | C50 | 171.4° | 175.1° |
| N10 | C54 | H96 | H97 | 120.0° | 119.9° |
| N10 | C54 | H96 | H98 | 120.0° | 120.0° |
| N10 | C54 | H97 | H98 | 120.0° | 120.0° |
| C54 | N10 | C55 | C56 | 54.8° | 24.7° |
| C54 | N10 | C55 | C60 | 67.8° | 95.3° |
| C54 | N10 | C55 | H99 | 173.6° | 139.9° |
| C55 | N10 | C54 | H96 | 180.0° | 169.5° |
| C55 | N10 | C54 | H97 | 60.0° | 49.5° |
| C55 | N10 | C54 | H98 | 60.0° | 70.5° |
| N10 | C55 | C56 | C60 | 121.9° | 121.3° |
| N10 | C55 | C56 | H99 | 119.6° | 115.0° |
| N10 | C55 | C60 | H99 | 119.1° | 122.7° |
| N10 | C55 | C56 | C57 | 58.5° | 174.6° |
| N10 | C55 | C56 | H100 | 63.2° | 54.6° |
| N10 | C55 | C56 | H101 | 179.7° | 65.5° |
| N10 | C55 | C60 | O12 | 19.5° | 113.8° |
| N10 | C55 | C60 | N11 | 163.4° | 65.8° |
| H96 | C54 | H97 | H98 | 120.0° | 120.1° |
| H96 | C54 | N10 | C50 | 9.2° | 5.0° |
| H97 | C54 | N10 | C50 | 110.9° | 125.0° |
| H98 | C54 | N10 | C50 | 129.2° | 115.0° |
| C56 | C55 | C60 | H99 | 118.2° | 121.5° |
| C55 | C56 | C57 | H100 | 121.8° | 120.0° |
| C55 | C56 | C57 | H101 | 121.7° | 120.0° |
| C55 | C56 | H100 | H101 | 114.3° | 120.0° |
| C55 | C56 | C57 | C58 | 173.3° | 63.1° |
| C55 | C56 | C57 | C59 | 63.2° | 176.8° |
| C55 | C56 | C57 | H102 | 55.2° | 56.9° |
| C56 | C55 | C60 | O12 | 142.2° | 130.5° |
| C56 | C55 | N10 | C50 | 133.8° | 160.2° |
| C56 | C55 | C60 | N11 | 40.7° | 49.9° |
| C60 | C55 | C56 | C57 | 179.5° | 64.1° |
| C60 | C55 | C56 | H100 | 58.7° | 175.9° |
| C60 | C55 | C56 | H101 | 57.8° | 55.9° |
| C55 | C60 | O12 | N11 | 177.1° | 179.6° |
| C55 | C60 | N11 | C61 | 179.1° | 173.8° |
| C55 | C60 | N11 | H109 | 0.9° | 5.2° |
| C60 | C55 | N10 | C50 | 103.5° | 79.8° |
| H99 | C55 | C56 | C57 | 61.1° | 59.5° |
| H99 | C55 | C56 | H100 | 177.2° | 60.5° |
| H99 | C55 | C56 | H101 | 60.7° | 179.5° |
| H99 | C55 | C60 | O12 | 99.6° | 8.9° |
| H99 | C55 | N10 | C50 | 15.1° | 45.0° |
| H99 | C55 | C60 | N11 | 77.5° | 171.5° |
| C57 | C56 | H100 | H101 | 114.3° | 120.0° |
| C56 | C57 | C58 | C59 | 122.1° | 120.0° |
| C56 | C57 | C58 | H102 | 117.9° | 120.0° |
| C56 | C57 | C59 | H102 | 118.2° | 120.0° |
| C56 | C57 | C58 | H103 | 180.0° | 55.2° |
| C56 | C57 | C58 | H104 | 60.0° | 64.7° |
| C56 | C57 | C58 | H105 | 60.0° | 175.3° |
| 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 | 51.5° | 56.9° |
| H100 | C56 | C57 | C59 | 175.0° | 63.1° |
| H100 | C56 | C57 | H102 | 66.6° | 176.9° |
| H101 | C56 | C57 | C58 | 65.0° | 176.9° |
| H101 | C56 | C57 | C59 | 58.5° | 56.9° |
| H101 | C56 | C57 | H102 | 176.9° | 63.1° |
| C58 | C57 | C59 | H102 | 119.9° | 120.0° |
| C57 | C58 | H103 | H104 | 120.0° | 119.9° |
| C57 | C58 | H103 | H105 | 120.0° | 120.1° |
| C57 | C58 | H104 | H105 | 120.0° | 120.0° |
| C58 | C57 | C59 | H106 | 58.1° | 180.0° |
| C58 | C57 | C59 | H107 | 61.9° | 59.9° |
| C58 | C57 | C59 | H108 | 178.1° | 60.0° |
| C59 | C57 | C58 | H103 | 57.9° | 175.2° |
| C59 | C57 | C58 | H104 | 177.9° | 55.3° |
| C59 | C57 | C58 | H105 | 62.1° | 64.7° |
| C57 | C59 | H106 | H107 | 120.0° | 120.0° |
| C57 | C59 | H106 | H108 | 120.0° | 120.0° |
| C57 | C59 | H107 | H108 | 120.0° | 119.9° |
| H102 | C57 | C58 | H103 | 62.1° | 64.8° |
| H102 | C57 | C58 | H104 | 57.9° | 175.3° |
| H102 | C57 | C58 | H105 | 177.9° | 55.3° |
| H102 | C57 | C59 | H106 | 61.8° | 60.0° |
| H102 | C57 | C59 | H107 | 178.2° | 60.0° |
| H102 | C57 | C59 | H108 | 58.2° | 180.0° |
| H103 | C58 | H104 | H105 | 120.0° | 120.0° |
| H106 | C59 | H107 | H108 | 120.0° | 120.0° |
| O12 | C60 | N11 | C61 | 3.8° | 6.6° |
| O12 | C60 | N11 | H109 | 176.2° | 174.4° |
| C61 | N11 | H109 | C60 | 180.0° | 178.9° |
| N11 | C61 | C62 | C63 | 120.6° | 118.6° |
| N11 | C61 | C62 | H110 | 120.7° | 122.3° |
| N11 | C61 | C63 | H110 | 122.1° | 120.4° |
| N11 | C61 | C62 | O13 | 10.9° | 112.1° |
| N11 | C61 | C63 | H111 | 180.0° | 60.0° |
| N11 | C61 | C63 | H112 | 60.0° | 180.0° |
| N11 | C61 | C63 | H113 | 60.0° | 60.0° |
| N11 | C61 | C62 | N1 | 173.2° | 61.5° |
| H109 | N11 | C61 | C62 | 83.8° | 58.0° |
| H109 | N11 | C61 | C63 | 34.5° | 60.8° |
| H109 | N11 | C61 | H110 | 156.1° | 179.9° |
| C62 | C61 | C63 | H110 | 118.8° | 119.9° |
| C61 | C62 | O13 | N1 | 175.6° | 173.3° |
| C62 | C61 | C63 | H111 | 60.9° | 59.7° |
| C62 | C61 | C63 | H112 | 179.1° | 60.3° |
| C62 | C61 | C63 | H113 | 59.1° | 179.7° |
| C62 | C61 | N11 | C60 | 96.2° | 123.1° |
| C63 | C61 | C62 | O13 | 109.6° | 129.2° |
| C61 | C63 | H111 | H112 | 120.0° | 119.9° |
| C61 | C63 | H111 | H113 | 120.0° | 120.1° |
| C61 | C63 | H112 | H113 | 120.0° | 120.0° |
| C63 | C61 | C62 | N1 | 66.3° | 57.2° |
| C63 | C61 | N11 | C60 | 145.5° | 118.1° |
| H110 | C61 | C62 | O13 | 131.7° | 10.1° |
| H110 | C61 | C63 | H111 | 57.9° | 179.5° |
| H110 | C61 | C63 | H112 | 62.1° | 59.6° |
| H110 | C61 | C63 | H113 | 177.9° | 60.4° |
| H110 | C61 | C62 | N1 | 52.4° | 176.3° |
| H110 | C61 | N11 | C60 | 23.9° | 1.2° |
| H111 | C63 | H112 | H113 | 120.0° | 120.0° |
