PRD_002374
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | N3 | sing | 1.47Å | 1.45Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | C8 | sing | 1.37Å | 1.33Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | N4 | sing | 1.33Å | 1.33Å | |
| C8 | N5 | doub | 1.33Å | 1.33Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | C9 | sing | 1.47Å | 1.47Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| N7 | C11 | sing | 1.47Å | 1.45Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.24Å | |
| C13 | O5 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| N8 | C15 | sing | 1.47Å | 1.46Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | O6 | doub | 1.21Å | 1.24Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | N9 | sing | 1.47Å | 1.48Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| N9 | H37 | sing | 1.01Å | 1.00Å | |
| N9 | H38 | sing | 1.01Å | 1.00Å | |
| N9 | H39 | sing | 1.01Å | 1.00Å | |
| N10 | C21 | sing | 1.47Å | 1.46Å | |
| N10 | H40 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.23Å | |
| C23 | O8 | sing | 1.43Å | 1.43Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| O8 | H44 | sing | 0.97Å | 0.95Å | |
| N11 | C24 | sing | 1.47Å | 1.46Å | |
| N11 | H45 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.50Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | O9 | doub | 1.22Å | 1.24Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | C29 | sing | 1.53Å | 1.46Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| N12 | C30 | sing | 1.47Å | 1.47Å | |
| N12 | C34 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.49Å | 1.52Å | |
| C30 | C32 | sing | 1.52Å | 1.52Å | |
| C30 | H56 | sing | 1.11Å | 1.10Å | |
| C31 | O10 | doub | 1.22Å | 1.23Å | |
| C32 | C33 | sing | 1.54Å | 1.49Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.47Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| N13 | C35 | sing | 1.47Å | 1.46Å | |
| N13 | C39 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.50Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C35 | H63 | sing | 1.10Å | 1.10Å | |
| C36 | O11 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.53Å | 1.48Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.54Å | 1.53Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| N14 | C40 | sing | 1.47Å | 1.45Å | |
| N14 | H70 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | O12 | doub | 1.21Å | 1.23Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.50Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | 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 | |
| N15 | C46 | sing | 1.47Å | 1.46Å | |
| N15 | H81 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.52Å | |
| C46 | C48 | sing | 1.53Å | 1.55Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | O13 | doub | 1.22Å | 1.24Å | |
| C48 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | H84 | sing | 1.09Å | 1.10Å | |
| C48 | H85 | sing | 1.09Å | 1.10Å | |
| N16 | C49 | sing | 1.46Å | 1.45Å | |
| N16 | H86 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.50Å | 1.52Å | |
| C49 | C51 | sing | 1.53Å | 1.52Å | |
| C49 | H87 | sing | 1.10Å | 1.10Å | |
| C50 | O14 | doub | 1.22Å | 1.23Å | |
| C51 | C52 | sing | 1.51Å | 1.51Å | |
| C51 | H88 | sing | 1.09Å | 1.10Å | |
| C51 | H89 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C52 | C54 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | H90 | sing | 1.08Å | 1.08Å | |
| C54 | C56 | doub | 1.38Å | 1.37Å | Aromatic |
| C54 | H91 | sing | 1.08Å | 1.08Å | |
| C55 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | H92 | sing | 1.08Å | 1.08Å | |
| C56 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C56 | H93 | sing | 1.08Å | 1.08Å | |
| C57 | H94 | sing | 1.08Å | 1.08Å | |
| N17 | C58 | sing | 1.47Å | 1.47Å | |
| N17 | C62 | sing | 1.47Å | 1.47Å | |
| C58 | C59 | sing | 1.50Å | 1.53Å | |
| C58 | C60 | sing | 1.53Å | 1.54Å | |
| C58 | H95 | sing | 1.10Å | 1.10Å | |
| C59 | O15 | doub | 1.21Å | 1.24Å | |
| C60 | C61 | sing | 1.54Å | 1.51Å | |
| C60 | H96 | sing | 1.09Å | 1.10Å | |
| C60 | H97 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.54Å | 1.50Å | |
| C61 | H98 | sing | 1.09Å | 1.10Å | |
| C61 | H99 | sing | 1.09Å | 1.10Å | |
| C62 | H100 | sing | 1.09Å | 1.10Å | |
| C62 | H101 | sing | 1.09Å | 1.10Å | |
| N18 | C63 | sing | 1.47Å | 1.46Å | |
| N18 | H102 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.54Å | |
| C63 | C65 | sing | 1.53Å | 1.53Å | |
| C63 | H103 | sing | 1.09Å | 1.10Å | |
| C64 | O16 | doub | 1.21Å | 1.24Å | |
| C65 | C66 | sing | 1.51Å | 1.51Å | |
| C65 | H104 | sing | 1.09Å | 1.10Å | |
| C65 | H105 | sing | 1.09Å | 1.10Å | |
| C66 | O17 | doub | 1.21Å | 1.24Å | |
| C66 | O18 | sing | 1.34Å | 1.24Å | |
| O18 | H106 | sing | 0.97Å | 0.95Å | |
| N1 | C64 | sing | 1.36Å | 1.50Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C4 | N6 | sing | 1.35Å | 1.33Å | |
| C10 | N7 | sing | 1.35Å | 1.33Å | |
| C12 | N8 | sing | 1.35Å | 1.32Å | |
| C16 | N10 | sing | 1.35Å | 1.33Å | |
| C22 | N11 | sing | 1.36Å | 1.32Å | |
| C25 | N12 | sing | 1.34Å | 1.34Å | |
| C31 | N13 | sing | 1.35Å | 1.33Å | |
| C36 | N14 | sing | 1.35Å | 1.32Å | |
| C41 | N15 | sing | 1.36Å | 1.33Å | |
| C47 | N16 | sing | 1.36Å | 1.31Å | |
| C50 | N17 | sing | 1.35Å | 1.33Å | |
| C59 | N18 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.0° | 120.2° |
| N1 | C1 | C2 | 118.0° | 108.7° |
| N1 | C1 | H2 | 107.3° | 109.8° |
| N1 | C1 | H3 | 107.3° | 109.7° |
| C1 | N1 | C64 | 120.0° | 119.7° |
| H1 | N1 | C64 | 120.0° | 120.1° |
| C2 | C1 | H2 | 107.3° | 109.6° |
| C2 | C1 | H3 | 107.3° | 109.5° |
| C1 | C2 | O1 | 119.2° | 119.9° |
| C1 | C2 | N2 | 117.6° | 120.3° |
| H2 | C1 | H3 | 109.4° | 109.6° |
| O1 | C2 | N2 | 123.2° | 119.9° |
| C3 | N2 | H4 | 119.1° | 120.9° |
| N2 | C3 | C4 | 109.7° | 109.6° |
| N2 | C3 | C5 | 109.7° | 109.5° |
| N2 | C3 | H5 | 110.0° | 109.7° |
| C3 | N2 | C2 | 121.8° | 118.3° |
| H4 | N2 | C2 | 119.1° | 120.8° |
| C4 | C3 | C5 | 109.2° | 109.4° |
| C4 | C3 | H5 | 109.1° | 109.3° |
| C3 | C4 | O2 | 120.4° | 120.3° |
| C3 | C4 | N6 | 116.0° | 119.3° |
| C5 | C3 | H5 | 109.1° | 109.4° |
| C3 | C5 | C6 | 111.8° | 109.4° |
| C3 | C5 | H6 | 108.9° | 109.5° |
| C3 | C5 | H7 | 108.9° | 109.5° |
| O2 | C4 | N6 | 123.6° | 120.4° |
| C6 | C5 | H6 | 108.9° | 109.5° |
| C6 | C5 | H7 | 108.9° | 109.4° |
| C5 | C6 | C7 | 111.1° | 109.4° |
| C5 | C6 | H8 | 109.1° | 109.5° |
| C5 | C6 | H9 | 109.0° | 109.4° |
| H6 | C5 | H7 | 109.4° | 109.6° |
| C7 | C6 | H8 | 109.1° | 109.5° |
| C7 | C6 | H9 | 109.1° | 109.5° |
| C6 | C7 | N3 | 110.8° | 109.4° |
| C6 | C7 | H10 | 109.1° | 109.5° |
| C6 | C7 | H11 | 109.2° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.6° |
| N3 | C7 | H10 | 109.1° | 109.4° |
| N3 | C7 | H11 | 109.2° | 109.4° |
| C7 | N3 | C8 | 124.7° | 120.0° |
| C7 | N3 | H12 | 117.7° | 120.0° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| C8 | N3 | H12 | 117.7° | 120.0° |
| N3 | C8 | N4 | 119.5° | 120.0° |
| N3 | C8 | N5 | 120.4° | 120.0° |
| N4 | C8 | N5 | 120.1° | 120.0° |
| C8 | N4 | H13 | 120.0° | 120.0° |
| C8 | N4 | H14 | 120.0° | 120.0° |
| C8 | N5 | H15 | 120.0° | 119.9° |
| C8 | N5 | H16 | 120.0° | 120.0° |
| H13 | N4 | H14 | 120.0° | 120.0° |
| H15 | N5 | H16 | 120.0° | 120.0° |
| C9 | N6 | H17 | 119.6° | 121.2° |
| N6 | C9 | C10 | 110.3° | 109.2° |
| N6 | C9 | H18 | 109.3° | 109.7° |
| N6 | C9 | H19 | 109.3° | 109.8° |
| C9 | N6 | C4 | 120.7° | 118.0° |
| H17 | N6 | C4 | 119.7° | 120.8° |
| C10 | C9 | H18 | 109.3° | 109.3° |
| C10 | C9 | H19 | 109.2° | 109.3° |
| C9 | C10 | O3 | 119.6° | 120.2° |
| C9 | C10 | N7 | 117.0° | 119.3° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| O3 | C10 | N7 | 123.4° | 120.5° |
| C11 | N7 | H20 | 120.2° | 120.4° |
| N7 | C11 | C12 | 110.8° | 108.7° |
| N7 | C11 | C13 | 111.7° | 109.5° |
| N7 | C11 | H21 | 109.6° | 109.9° |
| C11 | N7 | C10 | 119.7° | 119.1° |
| H20 | N7 | C10 | 120.2° | 120.5° |
| C12 | C11 | C13 | 107.6° | 109.2° |
| C12 | C11 | H21 | 108.5° | 109.7° |
| C11 | C12 | O4 | 123.3° | 119.7° |
| C11 | C12 | N8 | 114.5° | 119.8° |
| C13 | C11 | H21 | 108.5° | 109.8° |
| C11 | C13 | O5 | 110.5° | 109.5° |
| C11 | C13 | C14 | 109.8° | 109.5° |
| C11 | C13 | H22 | 108.4° | 109.5° |
| O4 | C12 | N8 | 122.0° | 120.5° |
| O5 | C13 | C14 | 109.7° | 109.5° |
| O5 | C13 | H22 | 109.6° | 109.5° |
| C13 | O5 | H23 | 109.5° | 114.0° |
| C14 | C13 | H22 | 108.8° | 109.4° |
| C13 | C14 | H24 | 109.5° | 109.4° |
| C13 | C14 | H25 | 109.4° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| C15 | N8 | H27 | 119.3° | 120.8° |
| N8 | C15 | C16 | 113.3° | 109.2° |
| N8 | C15 | C17 | 108.7° | 109.3° |
| N8 | C15 | H28 | 107.4° | 109.9° |
| C15 | N8 | C12 | 121.3° | 118.6° |
| H27 | N8 | C12 | 119.3° | 120.6° |
| C16 | C15 | C17 | 113.7° | 109.3° |
| C16 | C15 | H28 | 106.7° | 109.5° |
| C15 | C16 | O6 | 120.9° | 120.0° |
| C15 | C16 | N10 | 116.2° | 119.2° |
| C17 | C15 | H28 | 106.7° | 109.7° |
| C15 | C17 | C18 | 110.7° | 109.5° |
| C15 | C17 | H29 | 109.2° | 109.5° |
| C15 | C17 | H30 | 109.2° | 109.5° |
| O6 | C16 | N10 | 122.8° | 120.8° |
| C18 | C17 | H29 | 109.2° | 109.5° |
| C18 | C17 | H30 | 109.2° | 109.5° |
| C17 | C18 | C19 | 115.1° | 109.5° |
| C17 | C18 | H31 | 108.0° | 109.4° |
| C17 | C18 | H32 | 108.0° | 109.5° |
| H29 | C17 | H30 | 109.4° | 109.4° |
| C19 | C18 | H31 | 108.1° | 109.4° |
| C19 | C18 | H32 | 108.0° | 109.5° |
| C18 | C19 | C20 | 109.9° | 109.5° |
| C18 | C19 | H33 | 109.4° | 109.4° |
| C18 | C19 | H34 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| C20 | C19 | H33 | 109.4° | 109.5° |
| C20 | C19 | H34 | 109.4° | 109.5° |
| C19 | C20 | N9 | 108.5° | 109.5° |
| C19 | C20 | H35 | 109.7° | 109.4° |
| C19 | C20 | H36 | 109.7° | 109.4° |
| H33 | C19 | H34 | 109.4° | 109.4° |
| N9 | C20 | H35 | 109.7° | 109.5° |
| N9 | C20 | H36 | 109.7° | 109.5° |
| C20 | N9 | H37 | 109.5° | 109.4° |
| C20 | N9 | H38 | 109.5° | 109.4° |
| C20 | N9 | H39 | 109.5° | 109.6° |
| H35 | C20 | H36 | 109.4° | 109.5° |
| H37 | N9 | H38 | 109.5° | 109.4° |
| H37 | N9 | H39 | 109.5° | 109.4° |
| H38 | N9 | H39 | 109.4° | 109.5° |
| C21 | N10 | H40 | 118.0° | 120.6° |
| N10 | C21 | C22 | 111.4° | 109.1° |
| N10 | C21 | C23 | 109.6° | 109.4° |
| N10 | C21 | H41 | 109.4° | 109.7° |
| C21 | N10 | C16 | 124.1° | 118.3° |
| H40 | N10 | C16 | 117.9° | 121.1° |
| C22 | C21 | C23 | 109.5° | 109.4° |
| C22 | C21 | H41 | 108.5° | 109.6° |
| C21 | C22 | O7 | 122.2° | 120.1° |
| C21 | C22 | N11 | 115.3° | 119.0° |
| C23 | C21 | H41 | 108.4° | 109.6° |
| C21 | C23 | O8 | 112.1° | 109.5° |
| C21 | C23 | H42 | 108.8° | 109.5° |
| C21 | C23 | H43 | 108.8° | 109.5° |
| O7 | C22 | N11 | 122.5° | 120.9° |
| O8 | C23 | H42 | 108.8° | 109.5° |
| O8 | C23 | H43 | 108.8° | 109.5° |
| C23 | O8 | H44 | 109.5° | 114.0° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| C24 | N11 | H45 | 118.6° | 120.4° |
| N11 | C24 | C25 | 107.6° | 109.6° |
| N11 | C24 | C26 | 112.3° | 109.3° |
| N11 | C24 | H46 | 109.7° | 109.7° |
| C24 | N11 | C22 | 122.8° | 119.0° |
| H45 | N11 | C22 | 118.6° | 120.7° |
| C25 | C24 | C26 | 109.8° | 109.2° |
| C25 | C24 | H46 | 108.9° | 109.5° |
| C24 | C25 | O9 | 119.0° | 118.7° |
| C24 | C25 | N12 | 119.6° | 122.3° |
| C26 | C24 | H46 | 108.6° | 109.6° |
| C24 | C26 | C27 | 110.8° | 109.5° |
| C24 | C26 | C28 | 108.4° | 109.5° |
| C24 | C26 | H47 | 107.8° | 109.5° |
| O9 | C25 | N12 | 121.4° | 119.0° |
| C27 | C26 | C28 | 113.8° | 109.5° |
| C27 | C26 | H47 | 108.1° | 109.5° |
| C26 | C27 | C29 | 116.1° | 109.5° |
| C26 | C27 | H48 | 107.8° | 109.5° |
| C26 | C27 | H49 | 107.8° | 109.5° |
| C28 | C26 | H47 | 107.7° | 109.5° |
| C26 | C28 | H50 | 109.5° | 109.5° |
| C26 | C28 | H51 | 109.5° | 109.5° |
| C26 | C28 | H52 | 109.5° | 109.4° |
| C29 | C27 | H48 | 107.8° | 109.5° |
| C29 | C27 | H49 | 107.8° | 109.5° |
| C27 | C29 | H53 | 109.5° | 109.4° |
| C27 | C29 | H54 | 109.5° | 109.5° |
| C27 | C29 | H55 | 109.4° | 109.5° |
| H48 | C27 | H49 | 109.5° | 109.4° |
| H50 | C28 | H51 | 109.5° | 109.5° |
| H50 | C28 | H52 | 109.5° | 109.5° |
| H51 | C28 | H52 | 109.5° | 109.4° |
| H53 | C29 | H54 | 109.5° | 109.4° |
| H53 | C29 | H55 | 109.5° | 109.5° |
| H54 | C29 | H55 | 109.5° | 109.5° |
| C30 | N12 | C34 | 111.9° | 108.4° |
| N12 | C30 | C31 | 110.7° | 111.9° |
| N12 | C30 | C32 | 103.5° | 107.5° |
| N12 | C30 | H56 | 111.3° | 106.2° |
| C30 | N12 | C25 | 125.2° | 125.6° |
| N12 | C34 | C33 | 103.2° | 107.8° |
| N12 | C34 | H61 | 111.0° | 110.0° |
| N12 | C34 | H62 | 111.0° | 110.0° |
| C34 | N12 | C25 | 122.7° | 125.9° |
| C31 | C30 | C32 | 110.1° | 113.4° |
| C31 | C30 | H56 | 110.5° | 109.1° |
| C30 | C31 | O10 | 119.0° | 116.6° |
| C30 | C31 | N13 | 116.8° | 127.5° |
| C32 | C30 | H56 | 110.5° | 108.5° |
| C30 | C32 | C33 | 104.4° | 106.0° |
| C30 | C32 | H57 | 110.7° | 110.9° |
| C30 | C32 | H58 | 110.7° | 109.7° |
| O10 | C31 | N13 | 124.2° | 115.8° |
| C33 | C32 | H57 | 110.7° | 111.0° |
| C33 | C32 | H58 | 110.7° | 109.5° |
| C32 | C33 | C34 | 107.5° | 105.8° |
| C32 | C33 | H59 | 109.9° | 110.3° |
| C32 | C33 | H60 | 109.9° | 110.2° |
| H57 | C32 | H58 | 109.5° | 109.6° |
| C34 | C33 | H59 | 110.0° | 110.2° |
| C34 | C33 | H60 | 110.0° | 110.3° |
| C33 | C34 | H61 | 111.0° | 109.6° |
| C33 | C34 | H62 | 111.0° | 109.8° |
| H59 | C33 | H60 | 109.5° | 110.1° |
| H61 | C34 | H62 | 109.5° | 109.6° |
| C35 | N13 | C39 | 112.1° | 109.3° |
| N13 | C35 | C36 | 112.2° | 110.2° |
| N13 | C35 | C37 | 103.4° | 109.2° |
| N13 | C35 | H63 | 110.8° | 108.5° |
| C35 | N13 | C31 | 120.4° | 124.6° |
| N13 | C39 | C38 | 102.9° | 108.9° |
| N13 | C39 | H68 | 111.1° | 109.9° |
| N13 | C39 | H69 | 111.1° | 110.1° |
| C39 | N13 | C31 | 127.2° | 126.2° |
| C36 | C35 | C37 | 110.5° | 110.9° |
| C36 | C35 | H63 | 110.0° | 108.7° |
| C35 | C36 | O11 | 122.2° | 119.5° |
| C35 | C36 | N14 | 114.3° | 120.6° |
| C37 | C35 | H63 | 109.7° | 109.2° |
| C35 | C37 | C38 | 103.8° | 106.0° |
| C35 | C37 | H64 | 110.9° | 110.4° |
| C35 | C37 | H65 | 110.9° | 110.3° |
| O11 | C36 | N14 | 123.5° | 119.9° |
| C38 | C37 | H64 | 110.9° | 110.2° |
| C38 | C37 | H65 | 110.8° | 110.2° |
| C37 | C38 | C39 | 106.1° | 106.5° |
| C37 | C38 | H66 | 110.3° | 110.4° |
| C37 | C38 | H67 | 110.3° | 110.2° |
| H64 | C37 | H65 | 109.5° | 109.7° |
| C39 | C38 | H66 | 110.3° | 110.1° |
| C39 | C38 | H67 | 110.3° | 109.8° |
| C38 | C39 | H68 | 111.1° | 108.8° |
| C38 | C39 | H69 | 111.1° | 109.6° |
| H66 | C38 | H67 | 109.5° | 109.8° |
| H68 | C39 | H69 | 109.5° | 109.5° |
| C40 | N14 | H70 | 118.3° | 121.1° |
| N14 | C40 | C41 | 105.5° | 111.1° |
| N14 | C40 | C42 | 110.0° | 108.9° |
| N14 | C40 | H71 | 110.9° | 109.6° |
| C40 | N14 | C36 | 123.4° | 118.2° |
| H70 | N14 | C36 | 118.3° | 120.7° |
| C41 | C40 | C42 | 110.7° | 109.1° |
| C41 | C40 | H71 | 110.0° | 109.1° |
| C40 | C41 | O12 | 119.3° | 120.6° |
| C40 | C41 | N15 | 118.2° | 118.4° |
| C42 | C40 | H71 | 109.8° | 109.1° |
| C40 | C42 | C43 | 109.8° | 109.5° |
| C40 | C42 | C44 | 110.6° | 109.4° |
| C40 | C42 | H72 | 108.0° | 109.5° |
| O12 | C41 | N15 | 122.4° | 121.0° |
| C43 | C42 | C44 | 111.9° | 109.5° |
| C43 | C42 | H72 | 108.0° | 109.5° |
| C42 | C43 | C45 | 113.9° | 109.5° |
| C42 | C43 | H73 | 108.3° | 109.4° |
| C42 | C43 | H74 | 108.4° | 109.4° |
| C44 | C42 | H72 | 108.4° | 109.4° |
| C42 | C44 | H75 | 109.5° | 109.4° |
| C42 | C44 | H76 | 109.5° | 109.5° |
| C42 | C44 | H77 | 109.4° | 109.4° |
| C45 | C43 | H73 | 108.4° | 109.5° |
| C45 | C43 | H74 | 108.4° | 109.5° |
| C43 | C45 | H78 | 109.5° | 109.4° |
| C43 | C45 | H79 | 109.5° | 109.5° |
| C43 | C45 | H80 | 109.5° | 109.5° |
| H73 | C43 | H74 | 109.5° | 109.5° |
| H75 | C44 | H76 | 109.5° | 109.5° |
| H75 | C44 | H77 | 109.5° | 109.4° |
| H76 | C44 | H77 | 109.5° | 109.5° |
| H78 | C45 | H79 | 109.4° | 109.4° |
| H78 | C45 | H80 | 109.5° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.5° |
| C46 | N15 | H81 | 119.5° | 119.5° |
| N15 | C46 | C47 | 108.7° | 109.0° |
| N15 | C46 | C48 | 113.1° | 109.0° |
| N15 | C46 | H82 | 108.4° | 110.0° |
| C46 | N15 | C41 | 121.0° | 120.0° |
| H81 | N15 | C41 | 119.5° | 120.6° |
| C47 | C46 | C48 | 111.6° | 109.6° |
| C47 | C46 | H82 | 107.6° | 109.7° |
| C46 | C47 | O13 | 120.8° | 119.4° |
| C46 | C47 | N16 | 116.0° | 120.8° |
| C48 | C46 | H82 | 107.3° | 109.5° |
| C46 | C48 | H83 | 109.5° | 109.5° |
| C46 | C48 | H84 | 109.5° | 109.5° |
| C46 | C48 | H85 | 109.5° | 109.5° |
| O13 | C47 | N16 | 123.2° | 119.8° |
| H83 | C48 | H84 | 109.5° | 109.4° |
| H83 | C48 | H85 | 109.5° | 109.5° |
| H84 | C48 | H85 | 109.4° | 109.5° |
| C49 | N16 | H86 | 118.5° | 121.3° |
| N16 | C49 | C50 | 111.0° | 112.8° |
| N16 | C49 | C51 | 109.2° | 109.9° |
| N16 | C49 | H87 | 109.5° | 108.0° |
| C49 | N16 | C47 | 122.9° | 117.7° |
| H86 | N16 | C47 | 118.5° | 121.0° |
| C50 | C49 | C51 | 109.9° | 110.3° |
| C50 | C49 | H87 | 108.7° | 108.1° |
| C49 | C50 | O14 | 121.4° | 118.9° |
| C49 | C50 | N17 | 117.8° | 123.2° |
| C51 | C49 | H87 | 108.6° | 107.5° |
| C49 | C51 | C52 | 113.4° | 109.5° |
| C49 | C51 | H88 | 108.5° | 109.4° |
| C49 | C51 | H89 | 108.5° | 109.5° |
| O14 | C50 | N17 | 120.8° | 117.8° |
| C52 | C51 | H88 | 108.5° | 109.4° |
| C52 | C51 | H89 | 108.5° | 109.5° |
| C51 | C52 | C53 | 120.4° | 120.0° |
| C51 | C52 | C54 | 120.8° | 119.9° |
| H88 | C51 | H89 | 109.4° | 109.5° |
| C53 | C52 | C54 | 118.8° | 120.0° |
| C52 | C53 | C55 | 120.6° | 120.0° |
| C52 | C53 | H90 | 119.7° | 120.0° |
| C52 | C54 | C56 | 121.1° | 120.0° |
| C52 | C54 | H91 | 119.4° | 120.0° |
| C55 | C53 | H90 | 119.7° | 120.0° |
| C53 | C55 | C57 | 120.0° | 119.9° |
| C53 | C55 | H92 | 120.0° | 120.1° |
| C56 | C54 | H91 | 119.4° | 120.0° |
| C54 | C56 | C57 | 119.8° | 120.0° |
| C54 | C56 | H93 | 120.1° | 120.0° |
| C57 | C55 | H92 | 120.0° | 120.0° |
| C55 | C57 | C56 | 119.8° | 120.0° |
| C55 | C57 | H94 | 120.1° | 119.9° |
| C57 | C56 | H93 | 120.1° | 120.0° |
| C56 | C57 | H94 | 120.1° | 120.0° |
| C58 | N17 | C62 | 112.6° | 109.3° |
| N17 | C58 | C59 | 113.6° | 111.0° |
| N17 | C58 | C60 | 103.7° | 109.4° |
| N17 | C58 | H95 | 109.6° | 108.7° |
| C58 | N17 | C50 | 119.2° | 124.1° |
| N17 | C62 | C61 | 102.6° | 108.5° |
| N17 | C62 | H100 | 111.2° | 110.3° |
| N17 | C62 | H101 | 111.2° | 110.3° |
| C62 | N17 | C50 | 128.2° | 126.6° |
| C59 | C58 | C60 | 112.2° | 110.7° |
| C59 | C58 | H95 | 108.8° | 108.3° |
| C58 | C59 | O15 | 119.2° | 120.3° |
| C58 | C59 | N18 | 119.0° | 119.5° |
| C60 | C58 | H95 | 108.8° | 108.6° |
| C58 | C60 | C61 | 105.3° | 105.8° |
| C58 | C60 | H96 | 110.5° | 110.5° |
| C58 | C60 | H97 | 110.5° | 110.4° |
| O15 | C59 | N18 | 121.8° | 120.2° |
| C61 | C60 | H96 | 110.5° | 110.2° |
| C61 | C60 | H97 | 110.5° | 110.1° |
| C60 | C61 | C62 | 105.8° | 106.7° |
| C60 | C61 | H98 | 110.4° | 110.2° |
| C60 | C61 | H99 | 110.4° | 110.1° |
| H96 | C60 | H97 | 109.4° | 109.6° |
| C62 | C61 | H98 | 110.4° | 110.1° |
| C62 | C61 | H99 | 110.4° | 109.8° |
| C61 | C62 | H100 | 111.2° | 108.7° |
| C61 | C62 | H101 | 111.1° | 109.4° |
| H98 | C61 | H99 | 109.5° | 109.8° |
| H100 | C62 | H101 | 109.4° | 109.6° |
| C63 | N18 | H102 | 119.2° | 120.7° |
| N18 | C63 | C64 | 110.4° | 110.5° |
| N18 | C63 | C65 | 111.0° | 109.1° |
| N18 | C63 | H103 | 108.6° | 109.5° |
| C63 | N18 | C59 | 121.6° | 118.9° |
| H102 | N18 | C59 | 119.2° | 120.4° |
| C64 | C63 | C65 | 111.2° | 109.3° |
| C64 | C63 | H103 | 107.7° | 109.3° |
| C63 | C64 | O16 | 120.1° | 120.9° |
| C63 | C64 | N1 | 117.7° | 118.3° |
| C65 | C63 | H103 | 107.9° | 109.1° |
| C63 | C65 | C66 | 112.4° | 109.5° |
| C63 | C65 | H104 | 108.7° | 109.5° |
| C63 | C65 | H105 | 108.7° | 109.5° |
| O16 | C64 | N1 | 122.2° | 120.8° |
| C66 | C65 | H104 | 108.7° | 109.5° |
| C66 | C65 | H105 | 108.7° | 109.5° |
| C65 | C66 | O17 | 118.5° | 120.0° |
| C65 | C66 | O18 | 118.8° | 120.0° |
| H104 | C65 | H105 | 109.5° | 109.5° |
| O17 | C66 | O18 | 122.7° | 120.0° |
| C66 | O18 | H106 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C64 | 180.0° | 179.7° |
| N1 | C1 | C2 | H2 | 121.2° | 119.9° |
| N1 | C1 | C2 | H3 | 121.2° | 119.8° |
| N1 | C1 | H2 | H3 | 116.1° | 120.6° |
| N1 | C1 | C2 | O1 | 176.0° | 14.0° |
| C1 | N1 | C64 | C63 | 178.0° | 178.9° |
| C1 | N1 | C64 | O16 | 1.6° | 1.2° |
| N1 | C1 | C2 | N2 | 3.5° | 166.0° |
| H1 | N1 | C1 | C2 | 90.5° | 0.4° |
| H1 | N1 | C1 | H2 | 30.8° | 120.2° |
| H1 | N1 | C1 | H3 | 148.3° | 119.3° |
| H1 | N1 | C64 | C63 | 2.0° | 1.4° |
| H1 | N1 | C64 | O16 | 178.4° | 178.6° |
| C2 | C1 | H2 | H3 | 116.1° | 120.2° |
| C1 | C2 | O1 | N2 | 179.5° | 179.9° |
| C1 | C2 | N2 | C3 | 177.4° | 178.3° |
| C1 | C2 | N2 | H4 | 2.6° | 1.7° |
| C2 | C1 | N1 | C64 | 89.5° | 179.9° |
| H2 | C1 | C2 | O1 | 62.7° | 134.0° |
| H2 | C1 | N1 | C64 | 149.2° | 60.1° |
| H2 | C1 | C2 | N2 | 117.8° | 46.1° |
| H3 | C1 | C2 | O1 | 54.8° | 105.8° |
| H3 | C1 | N1 | C64 | 31.7° | 60.4° |
| H3 | C1 | C2 | N2 | 124.7° | 74.1° |
| O1 | C2 | N2 | C3 | 3.1° | 1.8° |
| O1 | C2 | N2 | H4 | 176.9° | 178.2° |
| C3 | N2 | H4 | C2 | 180.0° | 180.0° |
| N2 | C3 | C4 | C5 | 120.3° | 120.0° |
| N2 | C3 | C4 | H5 | 120.6° | 120.2° |
| N2 | C3 | C5 | H5 | 120.5° | 120.2° |
| N2 | C3 | C4 | O2 | 51.9° | 32.3° |
| N2 | C3 | C5 | C6 | 61.4° | 65.0° |
| N2 | C3 | C5 | H6 | 59.0° | 54.9° |
| N2 | C3 | C5 | H7 | 178.2° | 175.0° |
| N2 | C3 | C4 | N6 | 129.4° | 147.7° |
| H4 | N2 | C3 | C4 | 85.0° | 47.9° |
| H4 | N2 | C3 | C5 | 34.9° | 72.1° |
| H4 | N2 | C3 | H5 | 154.9° | 167.9° |
| C4 | C3 | C5 | H5 | 119.2° | 119.7° |
| C3 | C4 | O2 | N6 | 178.5° | 180.0° |
| C4 | C3 | C5 | C6 | 178.3° | 174.8° |
| C4 | C3 | C5 | H6 | 61.3° | 65.2° |
| C4 | C3 | C5 | H7 | 57.9° | 54.9° |
| C3 | C4 | N6 | C9 | 175.3° | 179.2° |
| C3 | C4 | N6 | H17 | 4.7° | 0.7° |
| C4 | C3 | N2 | C2 | 94.9° | 132.1° |
| C5 | C3 | C4 | O2 | 68.3° | 87.7° |
| C3 | C5 | C6 | H6 | 120.4° | 120.0° |
| C3 | C5 | C6 | H7 | 120.4° | 119.9° |
| C3 | C5 | H6 | H7 | 118.9° | 120.0° |
| C3 | C5 | C6 | C7 | 176.4° | 180.0° |
| C3 | C5 | C6 | H8 | 56.1° | 60.0° |
| C3 | C5 | C6 | H9 | 63.4° | 60.1° |
| C5 | C3 | N2 | C2 | 145.1° | 107.9° |
| C5 | C3 | C4 | N6 | 110.3° | 92.3° |
| H5 | C3 | C4 | O2 | 172.5° | 152.5° |
| H5 | C3 | C5 | C6 | 59.1° | 55.1° |
| H5 | C3 | C5 | H6 | 179.5° | 175.1° |
| H5 | C3 | C5 | H7 | 61.3° | 64.8° |
| H5 | C3 | N2 | C2 | 25.1° | 12.2° |
| H5 | C3 | C4 | N6 | 8.9° | 27.5° |
| O2 | C4 | N6 | C9 | 6.1° | 0.8° |
| O2 | C4 | N6 | H17 | 173.9° | 179.3° |
| C6 | C5 | H6 | H7 | 118.9° | 120.0° |
| C5 | C6 | C7 | H8 | 120.3° | 120.0° |
| C5 | C6 | C7 | H9 | 120.2° | 119.9° |
| C5 | C6 | H8 | H9 | 119.2° | 120.0° |
| C5 | C6 | C7 | N3 | 63.9° | 180.0° |
| C5 | C6 | C7 | H10 | 56.3° | 60.0° |
| C5 | C6 | C7 | H11 | 175.9° | 60.1° |
| H6 | C5 | C6 | C7 | 63.3° | 60.0° |
| H6 | C5 | C6 | H8 | 176.5° | 180.0° |
| H6 | C5 | C6 | H9 | 57.0° | 59.9° |
| H7 | C5 | C6 | C7 | 56.0° | 60.1° |
| H7 | C5 | C6 | H8 | 64.3° | 59.9° |
| H7 | C5 | C6 | H9 | 176.3° | NaN° |
| C7 | C6 | H8 | H9 | 119.3° | 120.0° |
| C6 | C7 | N3 | H10 | 120.2° | 120.0° |
| C6 | C7 | N3 | H11 | 120.2° | 120.0° |
| C6 | C7 | H10 | H11 | 119.4° | 120.1° |
| C6 | C7 | N3 | C8 | 115.4° | 180.0° |
| C6 | C7 | N3 | H12 | 64.6° | 0.1° |
| H8 | C6 | C7 | N3 | 175.8° | 60.0° |
| H8 | C6 | C7 | H10 | 64.0° | 180.0° |
| H8 | C6 | C7 | H11 | 55.6° | 59.9° |
| H9 | C6 | C7 | N3 | 56.3° | 60.1° |
| H9 | C6 | C7 | H10 | 176.5° | 59.9° |
| H9 | C6 | C7 | H11 | 63.9° | 180.0° |
| N3 | C7 | H10 | H11 | 119.4° | 119.9° |
| C7 | N3 | C8 | H12 | 180.0° | 179.9° |
| C7 | N3 | C8 | N4 | 179.7° | 0.0° |
| C7 | N3 | C8 | N5 | 0.8° | 180.0° |
| H10 | C7 | N3 | C8 | 4.8° | 60.0° |
| H10 | C7 | N3 | H12 | 175.2° | 119.9° |
| H11 | C7 | N3 | C8 | 124.4° | 60.0° |
| H11 | C7 | N3 | H12 | 55.6° | 120.1° |
| N3 | C8 | N4 | N5 | 179.5° | 180.0° |
| N3 | C8 | N4 | H13 | 179.5° | 0.1° |
| N3 | C8 | N4 | H14 | 0.5° | 180.0° |
| N3 | C8 | N5 | H15 | 179.5° | 0.0° |
| N3 | C8 | N5 | H16 | 0.5° | 180.0° |
| H12 | N3 | C8 | N4 | 0.3° | 179.9° |
| H12 | N3 | C8 | N5 | 179.2° | 0.0° |
| C8 | N4 | H13 | H14 | 180.0° | 179.9° |
| N4 | C8 | N5 | H15 | 0.0° | 179.9° |
| N4 | C8 | N5 | H16 | 180.0° | 0.0° |
| N5 | C8 | N4 | H13 | 0.0° | 180.0° |
| N5 | C8 | N4 | H14 | 180.0° | 0.1° |
| C8 | N5 | H15 | H16 | 180.0° | 179.9° |
| C9 | N6 | H17 | C4 | 180.0° | 179.9° |
| N6 | C9 | C10 | H18 | 120.1° | 120.0° |
| N6 | C9 | C10 | H19 | 120.1° | 120.1° |
| N6 | C9 | H18 | H19 | 119.6° | 120.6° |
| N6 | C9 | C10 | O3 | 56.0° | 13.8° |
| N6 | C9 | C10 | N7 | 125.8° | 166.1° |
| H17 | N6 | C9 | C10 | 42.4° | 23.3° |
| H17 | N6 | C9 | H18 | 162.6° | 96.5° |
| H17 | N6 | C9 | H19 | 77.6° | 143.1° |
| C10 | C9 | H18 | H19 | 119.6° | 119.7° |
| C9 | C10 | O3 | N7 | 178.1° | 179.9° |
| C9 | C10 | N7 | C11 | 172.4° | 179.5° |
| C9 | C10 | N7 | H20 | 7.6° | 0.4° |
| C10 | C9 | N6 | C4 | 137.6° | 156.8° |
| H18 | C9 | C10 | O3 | 176.1° | 106.2° |
| H18 | C9 | N6 | C4 | 17.4° | 83.4° |
| H18 | C9 | C10 | N7 | 5.7° | 73.8° |
| H19 | C9 | C10 | O3 | 64.1° | 133.9° |
| H19 | C9 | N6 | C4 | 102.3° | 37.0° |
| H19 | C9 | C10 | N7 | 114.1° | 46.0° |
| O3 | C10 | N7 | C11 | 5.7° | 0.4° |
| O3 | C10 | N7 | H20 | 174.3° | 179.6° |
| C11 | N7 | H20 | C10 | 180.0° | 179.9° |
| N7 | C11 | C12 | C13 | 122.4° | 119.4° |
| N7 | C11 | C12 | H21 | 120.3° | 120.2° |
| N7 | C11 | C13 | H21 | 120.9° | 120.8° |
| N7 | C11 | C12 | O4 | 18.3° | 77.0° |
| N7 | C11 | C13 | O5 | 65.1° | 65.0° |
| N7 | C11 | C13 | C14 | 56.0° | 55.0° |
| N7 | C11 | C13 | H22 | 174.7° | 175.0° |
| N7 | C11 | C12 | N8 | 165.9° | 103.1° |
| H20 | N7 | C11 | C12 | 112.1° | 36.8° |
| H20 | N7 | C11 | C13 | 7.9° | 82.4° |
| H20 | N7 | C11 | H21 | 128.2° | 156.9° |
| C12 | C11 | C13 | H21 | 117.2° | 120.3° |
| C11 | C12 | O4 | N8 | 175.4° | 179.9° |
| C12 | C11 | C13 | O5 | 56.7° | 53.9° |
| C12 | C11 | C13 | C14 | 177.9° | 174.0° |
| C12 | C11 | C13 | H22 | 63.4° | 66.1° |
| C11 | C12 | N8 | C15 | 175.7° | 176.7° |
| C11 | C12 | N8 | H27 | 4.2° | 3.3° |
| C12 | C11 | N7 | C10 | 67.9° | 143.1° |
| C13 | C11 | C12 | O4 | 104.1° | 42.4° |
| C11 | C13 | O5 | C14 | 121.2° | 120.0° |
| C11 | C13 | O5 | H22 | 119.4° | 120.0° |
| C11 | C13 | C14 | H22 | 118.5° | 120.0° |
| C11 | C13 | O5 | H23 | 180.0° | 180.0° |
| C11 | C13 | C14 | H24 | 180.0° | 60.0° |
| C11 | C13 | C14 | H25 | 60.0° | 180.0° |
| C11 | C13 | C14 | H26 | 60.0° | 59.9° |
| C13 | C11 | N7 | C10 | 172.1° | 97.6° |
| C13 | C11 | C12 | N8 | 71.7° | 137.5° |
| H21 | C11 | C12 | O4 | 138.7° | 162.7° |
| H21 | C11 | C13 | O5 | 174.0° | 174.2° |
| H21 | C11 | C13 | C14 | 64.9° | 65.8° |
| H21 | C11 | C13 | H22 | 53.8° | 54.2° |
| H21 | C11 | N7 | C10 | 51.8° | 23.0° |
| H21 | C11 | C12 | N8 | 45.6° | 17.1° |
| O4 | C12 | N8 | C15 | 8.5° | 3.4° |
| O4 | C12 | N8 | H27 | 171.5° | 176.5° |
| O5 | C13 | C14 | H22 | 119.9° | 120.0° |
| O5 | C13 | C14 | H24 | 58.4° | 60.0° |
| O5 | C13 | C14 | H25 | 178.4° | 60.0° |
| O5 | C13 | C14 | H26 | 61.6° | 180.0° |
| C14 | C13 | O5 | H23 | 58.8° | 60.0° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| C13 | C14 | H24 | H26 | 120.0° | 120.0° |
| C13 | C14 | H25 | H26 | 120.0° | 120.0° |
| H22 | C13 | O5 | H23 | 60.5° | 60.0° |
| H22 | C13 | C14 | H24 | 61.4° | 180.0° |
| H22 | C13 | C14 | H25 | 58.5° | 60.0° |
| H22 | C13 | C14 | H26 | 178.5° | 60.0° |
| H24 | C14 | H25 | H26 | 120.0° | 120.0° |
| C15 | N8 | H27 | C12 | 180.0° | 179.9° |
| N8 | C15 | C16 | C17 | 124.7° | 119.5° |
| N8 | C15 | C16 | H28 | 118.0° | 120.4° |
| N8 | C15 | C17 | H28 | 115.5° | 120.6° |
| N8 | C15 | C16 | O6 | 147.5° | 3.0° |
| N8 | C15 | C17 | C18 | 65.4° | 65.0° |
| N8 | C15 | C17 | H29 | 54.8° | 55.1° |
| N8 | C15 | C17 | H30 | 174.4° | 175.0° |
| N8 | C15 | C16 | N10 | 33.5° | 176.8° |
| H27 | N8 | C15 | C16 | 68.5° | 27.2° |
| H27 | N8 | C15 | C17 | 58.9° | 92.3° |
| H27 | N8 | C15 | H28 | 174.0° | 147.3° |
| C16 | C15 | C17 | H28 | 117.3° | 120.0° |
| C15 | C16 | O6 | N10 | 179.0° | 179.8° |
| C16 | C15 | C17 | C18 | 167.4° | 175.6° |
| C16 | C15 | C17 | H29 | 72.4° | 64.4° |
| C16 | C15 | C17 | H30 | 47.2° | 55.6° |
| C15 | C16 | N10 | C21 | 172.0° | 177.8° |
| C15 | C16 | N10 | H40 | 8.0° | 2.6° |
| C16 | C15 | N8 | C12 | 111.5° | 152.8° |
| C17 | C15 | C16 | O6 | 22.8° | 116.5° |
| C15 | C17 | C18 | H29 | 120.2° | 120.1° |
| C15 | C17 | C18 | H30 | 120.2° | 120.1° |
| C15 | C17 | H29 | H30 | 119.4° | 120.0° |
| C15 | C17 | C18 | C19 | 179.0° | 180.0° |
| C15 | C17 | C18 | H31 | 60.2° | 60.0° |
| C15 | C17 | C18 | H32 | 58.1° | 60.0° |
| C17 | C15 | N8 | C12 | 121.0° | 87.8° |
| C17 | C15 | C16 | N10 | 158.2° | 63.7° |
| H28 | C15 | C16 | O6 | 94.5° | 123.4° |
| H28 | C15 | C17 | C18 | 50.1° | 55.6° |
| H28 | C15 | C17 | H29 | 170.3° | 175.6° |
| H28 | C15 | C17 | H30 | 70.1° | 64.4° |
| H28 | C15 | N8 | C12 | 6.0° | 32.6° |
| H28 | C15 | C16 | N10 | 84.5° | 56.4° |
| O6 | C16 | N10 | C21 | 7.0° | 2.4° |
| O6 | C16 | N10 | H40 | 173.0° | 177.2° |
| C18 | C17 | H29 | H30 | 119.4° | 119.9° |
| C17 | C18 | C19 | H31 | 120.8° | 119.9° |
| C17 | C18 | C19 | H32 | 120.8° | 120.0° |
| C17 | C18 | H31 | H32 | 117.4° | 120.0° |
| C17 | C18 | C19 | C20 | 178.4° | 180.0° |
| C17 | C18 | C19 | H33 | 61.6° | 60.0° |
| C17 | C18 | C19 | H34 | 58.3° | 59.9° |
| H29 | C17 | C18 | C19 | 58.8° | 60.0° |
| H29 | C17 | C18 | H31 | 179.6° | 179.9° |
| H29 | C17 | C18 | H32 | 62.1° | 60.0° |
| H30 | C17 | C18 | C19 | 60.8° | 59.9° |
| H30 | C17 | C18 | H31 | 60.0° | 60.0° |
| H30 | C17 | C18 | H32 | 178.3° | 179.9° |
| C19 | C18 | H31 | H32 | 117.4° | 120.0° |
| C18 | C19 | C20 | H33 | 120.1° | 120.0° |
| C18 | C19 | C20 | H34 | 120.1° | 120.0° |
| C18 | C19 | H33 | H34 | 119.8° | 120.0° |
| C18 | C19 | C20 | N9 | 175.4° | 179.9° |
| C18 | C19 | C20 | H35 | 64.7° | 60.0° |
| C18 | C19 | C20 | H36 | 55.5° | 60.0° |
| H31 | C18 | C19 | C20 | 57.5° | 60.1° |
| H31 | C18 | C19 | H33 | 177.6° | 179.9° |
| H31 | C18 | C19 | H34 | 62.6° | 60.0° |
| H32 | C18 | C19 | C20 | 60.8° | 60.0° |
| H32 | C18 | C19 | H33 | 59.3° | 60.0° |
| H32 | C18 | C19 | H34 | 179.1° | 179.9° |
| C20 | C19 | H33 | H34 | 119.8° | 120.0° |
| C19 | C20 | N9 | H35 | 119.9° | 120.0° |
| C19 | C20 | N9 | H36 | 119.9° | 119.9° |
| C19 | C20 | H35 | H36 | 120.4° | 119.9° |
| C19 | C20 | N9 | H37 | 180.0° | 60.0° |
| C19 | C20 | N9 | H38 | 60.0° | 179.9° |
| C19 | C20 | N9 | H39 | 60.0° | 59.9° |
| H33 | C19 | C20 | N9 | 55.3° | 60.0° |
| H33 | C19 | C20 | H35 | 175.2° | 180.0° |
| H33 | C19 | C20 | H36 | 64.5° | 60.0° |
| H34 | C19 | C20 | N9 | 64.5° | 60.0° |
| H34 | C19 | C20 | H35 | 55.4° | 60.0° |
| H34 | C19 | C20 | H36 | 175.6° | 180.0° |
| N9 | C20 | H35 | H36 | 120.4° | 120.1° |
| C20 | N9 | H37 | H38 | 120.0° | 119.9° |
| C20 | N9 | H37 | H39 | 120.0° | 120.1° |
| C20 | N9 | H38 | H39 | 120.0° | 120.1° |
| H35 | C20 | N9 | H37 | 60.1° | 59.9° |
| H35 | C20 | N9 | H38 | 179.8° | 60.0° |
| H35 | C20 | N9 | H39 | 59.9° | 179.9° |
| H36 | C20 | N9 | H37 | 60.1° | 180.0° |
| H36 | C20 | N9 | H38 | 59.9° | 60.1° |
| H36 | C20 | N9 | H39 | 179.8° | 60.0° |
| H37 | N9 | H38 | H39 | 120.0° | 120.0° |
| C21 | N10 | H40 | C16 | 180.0° | 179.6° |
| N10 | C21 | C22 | C23 | 121.4° | 119.7° |
| N10 | C21 | C22 | H41 | 120.5° | 120.1° |
| N10 | C21 | C23 | H41 | 119.3° | 120.3° |
| N10 | C21 | C22 | O7 | 12.3° | 50.1° |
| N10 | C21 | C23 | O8 | 53.2° | 65.0° |
| N10 | C21 | C23 | H42 | 173.5° | 55.0° |
| N10 | C21 | C23 | H43 | 67.3° | 175.0° |
| N10 | C21 | C22 | N11 | 167.0° | 130.2° |
| H40 | N10 | C21 | C22 | 89.5° | 50.7° |
| H40 | N10 | C21 | C23 | 31.8° | 69.0° |
| H40 | N10 | C21 | H41 | 150.5° | 170.7° |
| C22 | C21 | C23 | H41 | 118.2° | 120.2° |
| C21 | C22 | O7 | N11 | 179.2° | 179.7° |
| C22 | C21 | C23 | O8 | 69.3° | 175.5° |
| C22 | C21 | C23 | H42 | 51.1° | 64.5° |
| C22 | C21 | C23 | H43 | 170.2° | 55.5° |
| C21 | C22 | N11 | C24 | 170.0° | 179.2° |
| C21 | C22 | N11 | H45 | 10.0° | 0.8° |
| C22 | C21 | N10 | C16 | 90.5° | 129.7° |
| C23 | C21 | C22 | O7 | 109.0° | 69.6° |
| C21 | C23 | O8 | H42 | 120.4° | 120.0° |
| C21 | C23 | O8 | H43 | 120.4° | 120.0° |
| C21 | C23 | H42 | H43 | 118.8° | 120.0° |
| C21 | C23 | O8 | H44 | 75.3° | 180.0° |
| C23 | C21 | N10 | C16 | 148.2° | 110.6° |
| C23 | C21 | C22 | N11 | 71.7° | 110.1° |
| H41 | C21 | C22 | O7 | 132.8° | 170.2° |
| H41 | C21 | C23 | O8 | 172.5° | 55.3° |
| H41 | C21 | C23 | H42 | 67.2° | 175.3° |
| H41 | C21 | C23 | H43 | 52.0° | 64.7° |
| H41 | C21 | N10 | C16 | 29.5° | 9.7° |
| H41 | C21 | C22 | N11 | 46.5° | 10.1° |
| O7 | C22 | N11 | C24 | 10.7° | 1.1° |
| O7 | C22 | N11 | H45 | 169.2° | 178.9° |
| O8 | C23 | H42 | H43 | 118.8° | 120.0° |
| H42 | C23 | O8 | H44 | 45.1° | 60.0° |
| H43 | C23 | O8 | H44 | 164.3° | 60.0° |
| C24 | N11 | H45 | C22 | 180.0° | 180.0° |
| N11 | C24 | C25 | C26 | 122.4° | 119.7° |
| N11 | C24 | C25 | H46 | 118.8° | 120.3° |
| N11 | C24 | C26 | H46 | 121.5° | 120.2° |
| N11 | C24 | C25 | O9 | 62.5° | 30.5° |
| N11 | C24 | C26 | C27 | 56.4° | 173.6° |
| N11 | C24 | C26 | C28 | 178.0° | 66.4° |
| N11 | C24 | C26 | H47 | 61.7° | 53.6° |
| N11 | C24 | C25 | N12 | 115.6° | 149.5° |
| H45 | N11 | C24 | C25 | 72.6° | 34.4° |
| H45 | N11 | C24 | C26 | 48.3° | 85.2° |
| H45 | N11 | C24 | H46 | 169.1° | 154.6° |
| C25 | C24 | C26 | H46 | 118.9° | 119.9° |
| C24 | C25 | O9 | N12 | 178.1° | 180.0° |
| C25 | C24 | C26 | C27 | 176.0° | 66.5° |
| C25 | C24 | C26 | C28 | 58.5° | 53.5° |
| C25 | C24 | C26 | H47 | 57.9° | 173.5° |
| C24 | C25 | N12 | C30 | 12.2° | 176.8° |
| C24 | C25 | N12 | C34 | 161.8° | 2.8° |
| C25 | C24 | N11 | C22 | 107.4° | 145.6° |
| C26 | C24 | C25 | O9 | 59.9° | 89.2° |
| C24 | C26 | C27 | C28 | 122.4° | 120.0° |
| C24 | C26 | C27 | H47 | 117.9° | 120.0° |
| C24 | C26 | C28 | H47 | 116.4° | 120.0° |
| C24 | C26 | C27 | C29 | 80.5° | 66.2° |
| C24 | C26 | C27 | H48 | 40.5° | 173.7° |
| C24 | C26 | C27 | H49 | 158.5° | 53.8° |
| C24 | C26 | C28 | H50 | 180.0° | 60.0° |
| C24 | C26 | C28 | H51 | 60.0° | 179.9° |
| C24 | C26 | C28 | H52 | 60.0° | 60.0° |
| C26 | C24 | N11 | C22 | 131.7° | 94.7° |
| C26 | C24 | C25 | N12 | 122.0° | 90.8° |
| H46 | C24 | C25 | O9 | 178.7° | 150.8° |
| H46 | C24 | C26 | C27 | 65.1° | 53.4° |
| H46 | C24 | C26 | C28 | 60.5° | 173.4° |
| H46 | C24 | C26 | H47 | 176.8° | 66.6° |
| H46 | C24 | N11 | C22 | 10.8° | 25.4° |
| H46 | C24 | C25 | N12 | 3.2° | 29.2° |
| O9 | C25 | N12 | C30 | 165.9° | 3.2° |
| O9 | C25 | N12 | C34 | 20.1° | 177.2° |
| C27 | C26 | C28 | H47 | 119.8° | 120.0° |
| C26 | C27 | C29 | H48 | 121.0° | 120.1° |
| C26 | C27 | C29 | H49 | 120.9° | 120.0° |
| C26 | C27 | H48 | H49 | 116.9° | 120.0° |
| C27 | C26 | C28 | H50 | 56.3° | 60.0° |
| C27 | C26 | C28 | H51 | 176.3° | 60.0° |
| C27 | C26 | C28 | H52 | 63.7° | 180.0° |
| C26 | C27 | C29 | H53 | 180.0° | 54.1° |
| C26 | C27 | C29 | H54 | 60.0° | 65.9° |
| C26 | C27 | C29 | H55 | 60.0° | 174.1° |
| C28 | C26 | C27 | C29 | 41.9° | 173.8° |
| C28 | C26 | C27 | H48 | 162.9° | 53.7° |
| C28 | C26 | C27 | H49 | 79.0° | 66.2° |
| C26 | C28 | H50 | H51 | 120.0° | 120.1° |
| C26 | C28 | H50 | H52 | 120.0° | 120.0° |
| C26 | C28 | H51 | H52 | 120.0° | 119.9° |
| H47 | C26 | C27 | C29 | 161.5° | 53.8° |
| H47 | C26 | C27 | H48 | 77.5° | 66.3° |
| H47 | C26 | C27 | H49 | 40.6° | 173.8° |
| H47 | C26 | C28 | H50 | 63.5° | 180.0° |
| H47 | C26 | C28 | H51 | 56.4° | 60.0° |
| H47 | C26 | C28 | H52 | 176.4° | 60.0° |
| C29 | C27 | H48 | H49 | 117.0° | 120.0° |
| C27 | C29 | H53 | H54 | 120.0° | 120.0° |
| C27 | C29 | H53 | H55 | 120.0° | 120.0° |
| C27 | C29 | H54 | H55 | 120.0° | 120.1° |
| H48 | C27 | C29 | H53 | 59.0° | 174.2° |
| H48 | C27 | C29 | H54 | 179.0° | 54.2° |
| H48 | C27 | C29 | H55 | 61.0° | 65.8° |
| H49 | C27 | C29 | H53 | 59.0° | 65.9° |
| H49 | C27 | C29 | H54 | 61.0° | 174.1° |
| H49 | C27 | C29 | H55 | 179.0° | 54.1° |
| H50 | C28 | H51 | H52 | 120.0° | 120.0° |
| H53 | C29 | H54 | H55 | 120.0° | 120.0° |
| C30 | N12 | C34 | C25 | 174.7° | 179.7° |
| N12 | C30 | C31 | C32 | 113.9° | 121.8° |
| N12 | C30 | C31 | H56 | 123.8° | 117.2° |
| N12 | C30 | C32 | H56 | 119.3° | 114.4° |
| N12 | C30 | C31 | O10 | 17.5° | 99.4° |
| N12 | C30 | C32 | C33 | 23.0° | 16.0° |
| N12 | C30 | C32 | H57 | 142.2° | 136.7° |
| N12 | C30 | C32 | H58 | 96.2° | 102.1° |
| C30 | N12 | C34 | C33 | 12.1° | 19.2° |
| C30 | N12 | C34 | H61 | 107.0° | 138.7° |
| C30 | N12 | C34 | H62 | 131.0° | 100.5° |
| N12 | C30 | C31 | N13 | 163.8° | 80.8° |
| C34 | N12 | C30 | C31 | 111.0° | 103.1° |
| C34 | N12 | C30 | C32 | 7.0° | 22.1° |
| C34 | N12 | C30 | H56 | 125.7° | 138.0° |
| N12 | C34 | C33 | C32 | 26.9° | 8.8° |
| N12 | C34 | C33 | H61 | 119.0° | 119.7° |
| N12 | C34 | C33 | H62 | 119.0° | 119.9° |
| N12 | C34 | C33 | H59 | 92.7° | 127.9° |
| N12 | C34 | C33 | H60 | 146.6° | 110.3° |
| N12 | C34 | H61 | H62 | 122.9° | 121.1° |
| C31 | C30 | C32 | H56 | 122.4° | 121.3° |
| C30 | C31 | O10 | N13 | 178.6° | 179.8° |
| C31 | C30 | C32 | C33 | 95.4° | 108.2° |
| C31 | C30 | C32 | H57 | 23.8° | 12.4° |
| C31 | C30 | C32 | H58 | 145.4° | 133.6° |
| C30 | C31 | N13 | C35 | 175.4° | 175.2° |
| C30 | C31 | N13 | C39 | 11.8° | 5.4° |
| C31 | C30 | N12 | C25 | 74.5° | 77.3° |
| C32 | C30 | C31 | O10 | 96.3° | 138.7° |
| C30 | C32 | C33 | H57 | 119.2° | 120.5° |
| C30 | C32 | C33 | H58 | 119.2° | 118.2° |
| C30 | C32 | H57 | H58 | 122.3° | 121.3° |
| C30 | C32 | C33 | C34 | 31.8° | 4.4° |
| C30 | C32 | C33 | H59 | 87.9° | 114.7° |
| C30 | C32 | C33 | H60 | 151.5° | 123.6° |
| C32 | C30 | N12 | C25 | 167.6° | 157.6° |
| C32 | C30 | C31 | N13 | 82.3° | 41.0° |
| H56 | C30 | C31 | O10 | 141.3° | 17.7° |
| H56 | C30 | C32 | C33 | 142.2° | 130.5° |
| H56 | C30 | C32 | H57 | 98.6° | 108.9° |
| H56 | C30 | C32 | H58 | 23.1° | 12.3° |
| H56 | C30 | N12 | C25 | 48.9° | 41.6° |
| H56 | C30 | C31 | N13 | 40.0° | 162.0° |
| O10 | C31 | N13 | C35 | 3.2° | 5.1° |
| O10 | C31 | N13 | C39 | 169.6° | 174.4° |
| C33 | C32 | H57 | H58 | 122.4° | 121.2° |
| C32 | C33 | C34 | H59 | 119.7° | 119.2° |
| C32 | C33 | C34 | H60 | 119.7° | 119.1° |
| C32 | C33 | H59 | H60 | 120.9° | 121.7° |
| C32 | C33 | C34 | H61 | 92.1° | 128.4° |
| C32 | C33 | C34 | H62 | 145.9° | 111.1° |
| H57 | C32 | C33 | C34 | 151.0° | 124.9° |
| H57 | C32 | C33 | H59 | 31.3° | 5.8° |
| H57 | C32 | C33 | H60 | 89.3° | 115.9° |
| H58 | C32 | C33 | C34 | 87.3° | 113.9° |
| H58 | C32 | C33 | H59 | 153.0° | 127.0° |
| H58 | C32 | C33 | H60 | 32.4° | 5.3° |
| C34 | C33 | H59 | H60 | 120.9° | 121.9° |
| C33 | C34 | H61 | H62 | 122.9° | 120.6° |
| C33 | C34 | N12 | C25 | 173.2° | 160.4° |
| H59 | C33 | C34 | H61 | 148.3° | 112.4° |
| H59 | C33 | C34 | H62 | 26.2° | 8.1° |
| H60 | C33 | C34 | H61 | 27.6° | 9.3° |
| H60 | C33 | C34 | H62 | 94.4° | 129.8° |
| H61 | C34 | N12 | C25 | 67.8° | 41.0° |
| H62 | C34 | N12 | C25 | 54.2° | 79.8° |
| C35 | N13 | C39 | C31 | 173.3° | 179.5° |
| N13 | C35 | C36 | C37 | 114.9° | 121.0° |
| N13 | C35 | C36 | H63 | 123.8° | 118.9° |
| N13 | C35 | C37 | H63 | 118.2° | 118.5° |
| N13 | C35 | C36 | O11 | 26.0° | 0.9° |
| N13 | C35 | C37 | C38 | 30.1° | 3.7° |
| N13 | C35 | C37 | H64 | 149.3° | 123.0° |
| N13 | C35 | C37 | H65 | 88.9° | 115.6° |
| C35 | N13 | C39 | C38 | 5.6° | 0.1° |
| C35 | N13 | C39 | H68 | 113.3° | 119.2° |
| C35 | N13 | C39 | H69 | 124.6° | 120.0° |
| N13 | C35 | C36 | N14 | 153.1° | 178.9° |
| C39 | N13 | C35 | C36 | 104.2° | 119.7° |
| C39 | N13 | C35 | C37 | 15.0° | 2.4° |
| C39 | N13 | C35 | H63 | 132.5° | 121.3° |
| N13 | C39 | C38 | C37 | 25.1° | 2.2° |
| N13 | C39 | C38 | H68 | 118.9° | 119.8° |
| N13 | C39 | C38 | H69 | 118.9° | 120.5° |
| N13 | C39 | C38 | H66 | 94.3° | 117.5° |
| N13 | C39 | C38 | H67 | 144.6° | 121.4° |
| N13 | C39 | H68 | H69 | 123.0° | 121.1° |
| C36 | C35 | C37 | H63 | 121.5° | 119.8° |
| C35 | C36 | O11 | N14 | 179.0° | 179.9° |
| C36 | C35 | C37 | C38 | 90.1° | 118.0° |
| C36 | C35 | C37 | H64 | 29.0° | 1.3° |
| C36 | C35 | C37 | H65 | 150.8° | 122.7° |
| C35 | C36 | N14 | C40 | 166.8° | 170.6° |
| C35 | C36 | N14 | H70 | 13.2° | 9.3° |
| C36 | C35 | N13 | C31 | 82.0° | 60.8° |
| C37 | C35 | C36 | O11 | 88.9° | 121.9° |
| C35 | C37 | C38 | H64 | 119.1° | 119.5° |
| C35 | C37 | C38 | H65 | 119.1° | 119.4° |
| C35 | C37 | H64 | H65 | 122.6° | 121.8° |
| C35 | C37 | C38 | C39 | 34.5° | 3.5° |
| C35 | C37 | C38 | H66 | 85.0° | 116.0° |
| C35 | C37 | C38 | H67 | 154.0° | 122.5° |
| C37 | C35 | N13 | C31 | 158.8° | 177.1° |
| C37 | C35 | C36 | N14 | 92.0° | 57.9° |
| H63 | C35 | C36 | O11 | 149.8° | 118.0° |
| H63 | C35 | C37 | C38 | 148.4° | 122.2° |
| H63 | C35 | C37 | H64 | 92.5° | 118.5° |
| H63 | C35 | C37 | H65 | 29.3° | 2.9° |
| H63 | C35 | N13 | C31 | 41.3° | 58.2° |
| H63 | C35 | C36 | N14 | 29.3° | 62.2° |
| O11 | C36 | N14 | C40 | 14.2° | 9.6° |
| O11 | C36 | N14 | H70 | 165.8° | 170.5° |
| C38 | C37 | H64 | H65 | 122.6° | 121.5° |
| C37 | C38 | C39 | H66 | 119.5° | 119.7° |
| C37 | C38 | C39 | H67 | 119.5° | 119.3° |
| C37 | C38 | H66 | H67 | 121.6° | 121.7° |
| C37 | C38 | C39 | H68 | 93.8° | 117.6° |
| C37 | C38 | C39 | H69 | 144.1° | 122.6° |
| H64 | C37 | C38 | C39 | 153.6° | 123.0° |
| H64 | C37 | C38 | H66 | 34.1° | 3.5° |
| H64 | C37 | C38 | H67 | 86.9° | 118.0° |
| H65 | C37 | C38 | C39 | 84.6° | 115.9° |
| H65 | C37 | C38 | H66 | 155.9° | 124.6° |
| H65 | C37 | C38 | H67 | 34.9° | 3.2° |
| C39 | C38 | H66 | H67 | 121.5° | 121.0° |
| C38 | C39 | H68 | H69 | 123.1° | 119.8° |
| C38 | C39 | N13 | C31 | 178.9° | 179.4° |
| H66 | C38 | C39 | H68 | 146.7° | 122.7° |
| H66 | C38 | C39 | H69 | 24.6° | 2.9° |
| H67 | C38 | C39 | H68 | 25.7° | 1.7° |
| H67 | C38 | C39 | H69 | 96.4° | 118.1° |
| H68 | C39 | N13 | C31 | 60.0° | 60.3° |
| H69 | C39 | N13 | C31 | 62.1° | 60.5° |
| C40 | N14 | H70 | C36 | 180.0° | 179.9° |
| N14 | C40 | C41 | C42 | 118.9° | 120.1° |
| N14 | C40 | C41 | H71 | 119.6° | 120.8° |
| N14 | C40 | C42 | H71 | 122.3° | 119.5° |
| N14 | C40 | C41 | O12 | 57.8° | 6.1° |
| N14 | C40 | C42 | C43 | 58.5° | 54.6° |
| N14 | C40 | C42 | C44 | 177.4° | 65.4° |
| N14 | C40 | C42 | H72 | 59.0° | 174.7° |
| N14 | C40 | C41 | N15 | 119.1° | 173.8° |
| H70 | N14 | C40 | C41 | 76.9° | 45.9° |
| H70 | N14 | C40 | C42 | 42.5° | 74.3° |
| H70 | N14 | C40 | H71 | 164.1° | 166.5° |
| C41 | C40 | C42 | H71 | 121.6° | 119.1° |
| C40 | C41 | O12 | N15 | 176.8° | 179.8° |
| C41 | C40 | C42 | C43 | 174.7° | 66.8° |
| C41 | C40 | C42 | C44 | 61.3° | 173.2° |
| C41 | C40 | C42 | H72 | 57.1° | 53.3° |
| C40 | C41 | N15 | C46 | 177.5° | 177.1° |
| C40 | C41 | N15 | H81 | 2.5° | 2.8° |
| C41 | C40 | N14 | C36 | 103.1° | 134.2° |
| C42 | C40 | C41 | O12 | 61.2° | 114.0° |
| C40 | C42 | C43 | C44 | 123.3° | 120.0° |
| C40 | C42 | C43 | H72 | 117.5° | 120.0° |
| C40 | C42 | C44 | H72 | 118.2° | 120.0° |
| C40 | C42 | C43 | C45 | 176.7° | 174.2° |
| C40 | C42 | C43 | H73 | 62.7° | 65.8° |
| C40 | C42 | C43 | H74 | 56.0° | 54.2° |
| C40 | C42 | C44 | H75 | 180.0° | 180.0° |
| C40 | C42 | C44 | H76 | 60.0° | 60.0° |
| C40 | C42 | C44 | H77 | 60.0° | 60.0° |
| C42 | C40 | N14 | C36 | 137.5° | 105.6° |
| C42 | C40 | C41 | N15 | 121.9° | 66.2° |
| H71 | C40 | C41 | O12 | 177.4° | 126.9° |
| H71 | C40 | C42 | C43 | 63.8° | 174.2° |
| H71 | C40 | C42 | C44 | 60.3° | 54.2° |
| H71 | C40 | C42 | H72 | 178.7° | 65.8° |
| H71 | C40 | N14 | C36 | 15.9° | 13.6° |
| H71 | C40 | C41 | N15 | 0.5° | 52.9° |
| O12 | C41 | N15 | C46 | 0.7° | 3.0° |
| O12 | C41 | N15 | H81 | 179.3° | 177.1° |
| C43 | C42 | C44 | H72 | 119.0° | 120.0° |
| C42 | C43 | C45 | H73 | 120.6° | 120.0° |
| C42 | C43 | C45 | H74 | 120.7° | 120.0° |
| C42 | C43 | H73 | H74 | 118.0° | 120.0° |
| C43 | C42 | C44 | H75 | 57.1° | 60.0° |
| C43 | C42 | C44 | H76 | 177.2° | 180.0° |
| C43 | C42 | C44 | H77 | 62.9° | 60.0° |
| C42 | C43 | C45 | H78 | 180.0° | 180.0° |
| C42 | C43 | C45 | H79 | 60.0° | 60.0° |
| C42 | C43 | C45 | H80 | 60.0° | 60.0° |
| C44 | C42 | C43 | C45 | 60.0° | 65.8° |
| C44 | C42 | C43 | H73 | 60.6° | 54.2° |
| C44 | C42 | C43 | H74 | 179.3° | 174.2° |
| C42 | C44 | H75 | H76 | 120.0° | 120.0° |
| C42 | C44 | H75 | H77 | 120.0° | 119.9° |
| C42 | C44 | H76 | H77 | 120.0° | 120.0° |
| H72 | C42 | C43 | C45 | 59.2° | 54.2° |
| H72 | C42 | C43 | H73 | 179.8° | 174.2° |
| H72 | C42 | C43 | H74 | 61.5° | 65.8° |
| H72 | C42 | C44 | H75 | 61.9° | 60.1° |
| H72 | C42 | C44 | H76 | 58.2° | 60.0° |
| H72 | C42 | C44 | H77 | 178.1° | 180.0° |
| C45 | C43 | H73 | H74 | 118.0° | 120.1° |
| C43 | C45 | H78 | H79 | 120.0° | 120.0° |
| C43 | C45 | H78 | H80 | 120.0° | 120.0° |
| C43 | C45 | H79 | H80 | 120.0° | 120.0° |
| H73 | C43 | C45 | H78 | 59.4° | 60.1° |
| H73 | C43 | C45 | H79 | 179.4° | 180.0° |
| H73 | C43 | C45 | H80 | 60.6° | 59.9° |
| H74 | C43 | C45 | H78 | 59.3° | 60.0° |
| H74 | C43 | C45 | H79 | 60.6° | 59.9° |
| H74 | C43 | C45 | H80 | 179.4° | 180.0° |
| H75 | C44 | H76 | H77 | 120.0° | 120.0° |
| H78 | C45 | H79 | H80 | 120.0° | 120.0° |
| C46 | N15 | H81 | C41 | 180.0° | 179.9° |
| N15 | C46 | C47 | C48 | 125.5° | 119.2° |
| N15 | C46 | C47 | H82 | 117.1° | 120.6° |
| N15 | C46 | C48 | H82 | 119.4° | 120.4° |
| N15 | C46 | C47 | O13 | 52.5° | 14.4° |
| N15 | C46 | C48 | H83 | 180.0° | 60.0° |
| N15 | C46 | C48 | H84 | 60.0° | 180.0° |
| N15 | C46 | C48 | H85 | 60.0° | 60.0° |
| N15 | C46 | C47 | N16 | 127.0° | 165.9° |
| H81 | N15 | C46 | C47 | 46.5° | 65.6° |
| H81 | N15 | C46 | C48 | 78.1° | 53.9° |
| H81 | N15 | C46 | H82 | 163.1° | 174.0° |
| C47 | C46 | C48 | H82 | 117.6° | 120.4° |
| C46 | C47 | O13 | N16 | 179.5° | 179.6° |
| C47 | C46 | C48 | H83 | 57.0° | 59.2° |
| C47 | C46 | C48 | H84 | 177.1° | 60.8° |
| C47 | C46 | C48 | H85 | 63.0° | 179.2° |
| C46 | C47 | N16 | C49 | 171.3° | 179.7° |
| C46 | C47 | N16 | H86 | 8.7° | 1.6° |
| C47 | C46 | N15 | C41 | 133.5° | 114.3° |
| C48 | C46 | C47 | O13 | 72.9° | 133.6° |
| C46 | C48 | H83 | H84 | 120.0° | 120.0° |
| C46 | C48 | H83 | H85 | 120.0° | 120.0° |
| C46 | C48 | H84 | H85 | 120.0° | 120.1° |
| C48 | C46 | N15 | C41 | 101.9° | 126.2° |
| C48 | C46 | C47 | N16 | 107.5° | 46.7° |
| H82 | C46 | C47 | O13 | 169.7° | 106.1° |
| H82 | C46 | C48 | H83 | 60.6° | 179.6° |
| H82 | C46 | C48 | H84 | 59.5° | 59.6° |
| H82 | C46 | C48 | H85 | 179.4° | 60.4° |
| H82 | C46 | N15 | C41 | 16.9° | 6.1° |
| H82 | C46 | C47 | N16 | 9.9° | 73.5° |
| O13 | C47 | N16 | C49 | 8.2° | 0.6° |
| O13 | C47 | N16 | H86 | 171.8° | 178.0° |
| H83 | C48 | H84 | H85 | 120.0° | 120.0° |
| C49 | N16 | H86 | C47 | 180.0° | 178.6° |
| N16 | C49 | C50 | C51 | 120.8° | 123.4° |
| N16 | C49 | C50 | H87 | 120.5° | 119.3° |
| N16 | C49 | C51 | H87 | 119.4° | 117.3° |
| N16 | C49 | C50 | O14 | 17.1° | 123.5° |
| N16 | C49 | C51 | C52 | 62.5° | 65.0° |
| N16 | C49 | C51 | H88 | 58.1° | 55.0° |
| N16 | C49 | C51 | H89 | 176.9° | 175.0° |
| N16 | C49 | C50 | N17 | 162.5° | 56.8° |
| H86 | N16 | C49 | C50 | 85.3° | 58.0° |
| H86 | N16 | C49 | C51 | 35.9° | 65.5° |
| H86 | N16 | C49 | H87 | 154.7° | 177.4° |
| C50 | C49 | C51 | H87 | 118.7° | 117.6° |
| C49 | C50 | O14 | N17 | 179.6° | 179.7° |
| C50 | C49 | C51 | C52 | 175.6° | 170.0° |
| C50 | C49 | C51 | H88 | 63.8° | 70.1° |
| C50 | C49 | C51 | H89 | 55.0° | 49.9° |
| C49 | C50 | N17 | C58 | 178.3° | 175.8° |
| C49 | C50 | N17 | C62 | 5.0° | 4.1° |
| C50 | C49 | N16 | C47 | 94.7° | 123.3° |
| C51 | C49 | C50 | O14 | 103.7° | 113.1° |
| C49 | C51 | C52 | H88 | 120.6° | 119.9° |
| C49 | C51 | C52 | H89 | 120.6° | 120.1° |
| C49 | C51 | H88 | H89 | 118.2° | 120.0° |
| C49 | C51 | C52 | C53 | 75.6° | 90.0° |
| C49 | C51 | C52 | C54 | 104.1° | 90.3° |
| C51 | C49 | N16 | C47 | 144.1° | 113.1° |
| C51 | C49 | C50 | N17 | 76.7° | 66.5° |
| H87 | C49 | C50 | O14 | 137.6° | 4.2° |
| H87 | C49 | C51 | C52 | 56.9° | 52.4° |
| H87 | C49 | C51 | H88 | 177.4° | 172.3° |
| H87 | C49 | C51 | H89 | 63.7° | 67.7° |
| H87 | C49 | N16 | C47 | 25.3° | 3.9° |
| H87 | C49 | C50 | N17 | 42.0° | 176.2° |
| O14 | C50 | N17 | C58 | 2.1° | 3.8° |
| O14 | C50 | N17 | C62 | 174.6° | 176.2° |
| C52 | C51 | H88 | H89 | 118.2° | 120.0° |
| C51 | C52 | C53 | C54 | 179.7° | 179.7° |
| C51 | C52 | C53 | C55 | 179.8° | 180.0° |
| C51 | C52 | C53 | H90 | 0.2° | 0.0° |
| C51 | C52 | C54 | C56 | 179.7° | 180.0° |
| C51 | C52 | C54 | H91 | 0.3° | 0.0° |
| H88 | C51 | C52 | C53 | 163.8° | 30.0° |
| H88 | C51 | C52 | C54 | 16.5° | 149.8° |
| H89 | C51 | C52 | C53 | 45.0° | 150.0° |
| H89 | C51 | C52 | C54 | 135.3° | 29.7° |
| C52 | C53 | C55 | H90 | 180.0° | 180.0° |
| C53 | C52 | C54 | C56 | 0.6° | 0.3° |
| C53 | C52 | C54 | H91 | 179.4° | 179.7° |
| C52 | C53 | C55 | C57 | 0.3° | 0.0° |
| C52 | C53 | C55 | H92 | 179.7° | 179.9° |
| C54 | C52 | C53 | C55 | 0.1° | 0.3° |
| C54 | C52 | C53 | H90 | 179.9° | 179.7° |
| C52 | C54 | C56 | H91 | 180.0° | 180.0° |
| C52 | C54 | C56 | C57 | 0.8° | 0.0° |
| C52 | C54 | C56 | H93 | 179.3° | 180.0° |
| C53 | C55 | C57 | H92 | 180.0° | 180.0° |
| C53 | C55 | C57 | C56 | 0.1° | 0.2° |
| C53 | C55 | C57 | H94 | 179.9° | 180.0° |
| H90 | C53 | C55 | C57 | 179.7° | 180.0° |
| H90 | C53 | C55 | H92 | 0.3° | 0.0° |
| C54 | C56 | C57 | C55 | 0.4° | 0.2° |
| C54 | C56 | C57 | H93 | 180.0° | 180.0° |
| C54 | C56 | C57 | H94 | 179.6° | 180.0° |
| H91 | C54 | C56 | C57 | 179.2° | 179.9° |
| H91 | C54 | C56 | H93 | 0.8° | 0.0° |
| C55 | C57 | C56 | H94 | 180.0° | 179.8° |
| C55 | C57 | C56 | H93 | 179.6° | 179.8° |
| H92 | C55 | C57 | C56 | 179.9° | 179.8° |
| H92 | C55 | C57 | H94 | 0.2° | 0.0° |
| H93 | C56 | C57 | H94 | 0.3° | 0.0° |
| C58 | N17 | C62 | C50 | 176.9° | 179.9° |
| N17 | C58 | C59 | C60 | 117.2° | 121.7° |
| N17 | C58 | C59 | H95 | 122.4° | 119.3° |
| N17 | C58 | C60 | H95 | 116.6° | 118.5° |
| N17 | C58 | C59 | O15 | 162.1° | 2.5° |
| N17 | C58 | C60 | C61 | 16.2° | 2.1° |
| N17 | C58 | C60 | H96 | 103.2° | 121.4° |
| N17 | C58 | C60 | H97 | 135.6° | 117.1° |
| C58 | N17 | C62 | C61 | 21.5° | 5.1° |
| C58 | N17 | C62 | H100 | 140.4° | 124.1° |
| C58 | N17 | C62 | H101 | 97.4° | 114.7° |
| N17 | C58 | C59 | N18 | 17.6° | 177.8° |
| C62 | N17 | C58 | C59 | 118.7° | 118.0° |
| C62 | N17 | C58 | C60 | 3.4° | 4.5° |
| C62 | N17 | C58 | H95 | 119.4° | 123.0° |
| N17 | C62 | C61 | C60 | 30.9° | 3.7° |
| N17 | C62 | C61 | H100 | 118.9° | 120.0° |
| N17 | C62 | C61 | H101 | 118.9° | 120.4° |
| N17 | C62 | C61 | H98 | 150.3° | 123.3° |
| N17 | C62 | C61 | H99 | 88.5° | 115.6° |
| N17 | C62 | H100 | H101 | 123.2° | 121.6° |
| C59 | C58 | C60 | H95 | 120.5° | 118.8° |
| C58 | C59 | O15 | N18 | 179.7° | 179.7° |
| C59 | C58 | C60 | C61 | 139.1° | 120.6° |
| C59 | C58 | C60 | H96 | 19.8° | 1.3° |
| C59 | C58 | C60 | H97 | 101.5° | 120.2° |
| C58 | C59 | N18 | C63 | 179.8° | 170.8° |
| C58 | C59 | N18 | H102 | 0.2° | 9.0° |
| C59 | C58 | N17 | C50 | 64.1° | 62.1° |
| C60 | C58 | C59 | O15 | 80.7° | 119.3° |
| C58 | C60 | C61 | H96 | 119.4° | 119.5° |
| C58 | C60 | C61 | H97 | 119.4° | 119.4° |
| C58 | C60 | H96 | H97 | 121.9° | 122.0° |
| C58 | C60 | C61 | C62 | 29.8° | 1.0° |
| C58 | C60 | C61 | H98 | 149.2° | 120.6° |
| C58 | C60 | C61 | H99 | 89.6° | 118.1° |
| C60 | C58 | N17 | C50 | 173.9° | 175.4° |
| C60 | C58 | C59 | N18 | 99.6° | 60.5° |
| H95 | C58 | C59 | O15 | 39.7° | 121.8° |
| H95 | C58 | C60 | C61 | 100.4° | 120.6° |
| H95 | C58 | C60 | H96 | 140.2° | 120.1° |
| H95 | C58 | C60 | H97 | 19.0° | 1.4° |
| H95 | C58 | N17 | C50 | 57.9° | 57.0° |
| H95 | C58 | C59 | N18 | 140.0° | 58.5° |
| O15 | C59 | N18 | C63 | 0.5° | 9.5° |
| O15 | C59 | N18 | H102 | 179.4° | 170.7° |
| C61 | C60 | H96 | H97 | 121.9° | 121.4° |
| C60 | C61 | C62 | H98 | 119.4° | 119.6° |
| C60 | C61 | C62 | H99 | 119.4° | 119.3° |
| C60 | C61 | H98 | H99 | 121.7° | 121.5° |
| C60 | C61 | C62 | H100 | 149.8° | 123.7° |
| C60 | C61 | C62 | H101 | 88.0° | 116.7° |
| H96 | C60 | C61 | C62 | 89.6° | 118.5° |
| H96 | C60 | C61 | H98 | 29.9° | 1.1° |
| H96 | C60 | C61 | H99 | 151.0° | 122.4° |
| H97 | C60 | C61 | C62 | 149.2° | 120.4° |
| H97 | C60 | C61 | H98 | 91.4° | 120.0° |
| H97 | C60 | C61 | H99 | 29.7° | 1.3° |
| C62 | C61 | H98 | H99 | 121.7° | 121.1° |
| C61 | C62 | H100 | H101 | 123.2° | 119.5° |
| C61 | C62 | N17 | C50 | 155.5° | 174.8° |
| H98 | C61 | C62 | H100 | 90.8° | 116.7° |
| H98 | C61 | C62 | H101 | 31.4° | 3.0° |
| H99 | C61 | C62 | H100 | 30.4° | 4.4° |
| H99 | C61 | C62 | H101 | 152.5° | 124.0° |
| H100 | C62 | N17 | C50 | 36.6° | 55.8° |
| H101 | C62 | N17 | C50 | 85.6° | 65.3° |
| C63 | N18 | H102 | C59 | 180.0° | 179.8° |
| N18 | C63 | C64 | C65 | 123.6° | 120.1° |
| N18 | C63 | C64 | H103 | 118.5° | 120.5° |
| N18 | C63 | C65 | H103 | 118.9° | 119.6° |
| N18 | C63 | C64 | O16 | 176.1° | 7.3° |
| N18 | C63 | C65 | C66 | 56.4° | 65.0° |
| N18 | C63 | C65 | H104 | 176.8° | 55.0° |
| N18 | C63 | C65 | H105 | 64.0° | 174.9° |
| N18 | C63 | C64 | N1 | 4.3° | 172.6° |
| H102 | N18 | C63 | C64 | 99.5° | 90.3° |
| H102 | N18 | C63 | C65 | 24.2° | 30.0° |
| H102 | N18 | C63 | H103 | 142.7° | 149.4° |
| C64 | C63 | C65 | H103 | 117.8° | 119.5° |
| C63 | C64 | O16 | N1 | 179.6° | 180.0° |
| C64 | C63 | C65 | C66 | 66.8° | 174.0° |
| C64 | C63 | C65 | H104 | 53.6° | 66.0° |
| C64 | C63 | C65 | H105 | 172.7° | 54.0° |
| C64 | C63 | N18 | C59 | 80.5° | 89.9° |
| C65 | C63 | C64 | O16 | 52.5° | 112.8° |
| C63 | C65 | C66 | H104 | 120.4° | 120.0° |
| C63 | C65 | C66 | H105 | 120.4° | 120.0° |
| C63 | C65 | H104 | H105 | 118.6° | 120.0° |
| C63 | C65 | C66 | O17 | 29.0° | 0.0° |
| C63 | C65 | C66 | O18 | 149.4° | 180.0° |
| C65 | C63 | C64 | N1 | 127.8° | 67.2° |
| C65 | C63 | N18 | C59 | 155.8° | 149.8° |
| H103 | C63 | C64 | O16 | 65.5° | 127.9° |
| H103 | C63 | C65 | C66 | 175.3° | 54.5° |
| H103 | C63 | C65 | H104 | 64.3° | 174.5° |
| H103 | C63 | C65 | H105 | 54.9° | 65.5° |
| H103 | C63 | C64 | N1 | 114.2° | 52.1° |
| H103 | C63 | N18 | C59 | 37.3° | 30.5° |
| C66 | C65 | H104 | H105 | 118.7° | 120.0° |
| C65 | C66 | O17 | O18 | 178.3° | 180.0° |
| C65 | C66 | O18 | H106 | 178.3° | 179.9° |
| H104 | C65 | C66 | O17 | 91.4° | 120.0° |
| H104 | C65 | C66 | O18 | 90.2° | 60.0° |
| H105 | C65 | C66 | O17 | 149.4° | 120.0° |
| H105 | C65 | C66 | O18 | 28.9° | 60.0° |
| O17 | C66 | O18 | H106 | 0.0° | 0.1° |
