PRD_000430
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.49Å | 1.47Å | |
| N1 | C5 | sing | 1.49Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.54Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.46Å | 1.47Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | N3 | sing | 1.34Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.39Å | Aromatic |
| N3 | C11 | doub | 1.31Å | 1.39Å | Aromatic |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | N4 | sing | 1.37Å | 1.40Å | Aromatic |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | C12 | sing | 1.47Å | 1.50Å | |
| N5 | C16 | sing | 1.47Å | 1.59Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.54Å | 1.51Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| N6 | C17 | sing | 1.47Å | 1.49Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | O4 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| N7 | C26 | sing | 1.47Å | 1.51Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | O5 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | N8 | sing | 1.34Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.35Å | 1.38Å | Aromatic |
| N8 | C31 | doub | 1.30Å | 1.39Å | Aromatic |
| N8 | H37 | sing | 0.97Å | 1.00Å | |
| C30 | N9 | sing | 1.37Å | 1.39Å | Aromatic |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | N9 | sing | 1.35Å | 1.39Å | Aromatic |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| N9 | H40 | sing | 0.97Å | 1.00Å | |
| N10 | C32 | sing | 1.46Å | 1.50Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | C37 | sing | 1.53Å | 1.52Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | O6 | sing | 1.43Å | 1.45Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| O6 | H53 | sing | 0.97Å | 0.95Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | O7 | doub | 1.21Å | 1.24Å | |
| N11 | C40 | sing | 1.47Å | 1.44Å | |
| N11 | H56 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | O8 | doub | 1.21Å | 1.21Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.55Å | |
| C42 | H58 | sing | 1.09Å | 1.10Å | |
| C43 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | H60 | sing | 1.09Å | 1.10Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C44 | H62 | sing | 1.09Å | 1.10Å | |
| C44 | H63 | sing | 1.09Å | 1.10Å | |
| C44 | H64 | sing | 1.09Å | 1.10Å | |
| N12 | C45 | sing | 1.46Å | 1.48Å | |
| N12 | H65 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H66 | sing | 1.09Å | 1.10Å | |
| C46 | O9 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | C49 | sing | 1.53Å | 1.52Å | |
| C47 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | C50 | sing | 1.53Å | 1.52Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C48 | H69 | sing | 1.09Å | 1.10Å | |
| C49 | H70 | sing | 1.09Å | 1.10Å | |
| C49 | H71 | sing | 1.09Å | 1.10Å | |
| C49 | H72 | sing | 1.09Å | 1.10Å | |
| C50 | H73 | sing | 1.09Å | 1.10Å | |
| C50 | H74 | sing | 1.09Å | 1.10Å | |
| C50 | H75 | sing | 1.09Å | 1.10Å | |
| N13 | C51 | sing | 1.47Å | 1.44Å | |
| N13 | H76 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.48Å | |
| C51 | C53 | sing | 1.53Å | 1.51Å | |
| C51 | H77 | sing | 1.09Å | 1.10Å | |
| C52 | O10 | doub | 1.21Å | 1.25Å | |
| C53 | C54 | sing | 1.51Å | 1.55Å | |
| C53 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | H79 | sing | 1.09Å | 1.10Å | |
| C54 | N14 | sing | 1.34Å | 1.39Å | Aromatic |
| C54 | C55 | doub | 1.35Å | 1.40Å | Aromatic |
| N14 | C56 | doub | 1.31Å | 1.39Å | Aromatic |
| N14 | H80 | sing | 0.97Å | 1.00Å | |
| C55 | N15 | sing | 1.37Å | 1.40Å | Aromatic |
| C55 | H81 | sing | 1.08Å | 1.08Å | |
| C56 | N15 | sing | 1.35Å | 1.39Å | Aromatic |
| C56 | H82 | sing | 1.08Å | 1.08Å | |
| N15 | H83 | sing | 0.97Å | 1.00Å | |
| N16 | C57 | sing | 1.47Å | 1.48Å | |
| N16 | H84 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.52Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | H85 | sing | 1.09Å | 1.10Å | |
| C58 | O11 | doub | 1.21Å | 1.24Å | |
| C58 | O12 | sing | 1.34Å | 1.33Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | H86 | sing | 1.09Å | 1.10Å | |
| C59 | H87 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C60 | H88 | sing | 1.09Å | 1.10Å | |
| C60 | H89 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | H90 | sing | 1.09Å | 1.10Å | |
| C61 | H91 | sing | 1.09Å | 1.10Å | |
| C62 | N17 | sing | 1.47Å | 1.47Å | |
| C62 | H92 | sing | 1.09Å | 1.10Å | |
| C62 | H93 | sing | 1.09Å | 1.10Å | |
| N17 | H94 | sing | 1.01Å | 1.00Å | |
| N17 | H95 | sing | 1.01Å | 1.00Å | |
| N17 | H96 | sing | 1.01Å | 1.00Å | |
| O12 | H97 | sing | 0.97Å | 0.95Å | |
| C27 | N10 | sing | 1.35Å | 1.33Å | |
| C39 | N11 | sing | 1.35Å | 1.34Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C7 | N5 | sing | 1.35Å | 1.43Å | |
| C13 | N6 | sing | 1.35Å | 1.32Å | |
| C18 | N7 | sing | 1.35Å | 1.33Å | |
| C41 | N12 | sing | 1.35Å | 1.31Å | |
| C46 | N13 | sing | 1.35Å | 1.33Å | |
| C52 | N16 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C5 | 114.6° | 104.2° |
| C1 | N1 | H1 | 108.2° | 111.0° |
| N1 | C1 | C2 | 111.1° | 110.4° |
| N1 | C1 | C3 | 99.7° | 104.6° |
| N1 | C1 | H2 | 112.4° | 110.4° |
| C5 | N1 | H1 | 108.2° | 111.1° |
| N1 | C5 | C4 | 103.4° | 104.6° |
| N1 | C5 | H7 | 111.0° | 110.4° |
| N1 | C5 | H8 | 111.0° | 110.4° |
| C2 | C1 | C3 | 110.0° | 110.4° |
| C2 | C1 | H2 | 111.6° | 110.4° |
| C1 | C2 | O1 | 120.8° | 120.0° |
| C1 | C2 | N2 | 117.9° | 120.0° |
| C3 | C1 | H2 | 111.6° | 110.5° |
| C1 | C3 | C4 | 107.6° | 105.1° |
| C1 | C3 | H3 | 109.9° | 110.3° |
| C1 | C3 | H4 | 109.9° | 110.3° |
| O1 | C2 | N2 | 121.3° | 120.0° |
| C4 | C3 | H3 | 110.0° | 110.3° |
| C4 | C3 | H4 | 110.0° | 110.3° |
| C3 | C4 | C5 | 106.2° | 105.0° |
| C3 | C4 | H5 | 110.3° | 110.3° |
| C3 | C4 | H6 | 110.3° | 110.3° |
| H3 | C3 | H4 | 109.4° | 110.4° |
| C5 | C4 | H5 | 110.3° | 110.3° |
| C5 | C4 | H6 | 110.3° | 110.3° |
| C4 | C5 | H7 | 110.9° | 110.4° |
| C4 | C5 | H8 | 110.9° | 110.4° |
| H5 | C4 | H6 | 109.5° | 110.4° |
| H7 | C5 | H8 | 109.5° | 110.4° |
| C6 | N2 | H9 | 118.9° | 120.1° |
| N2 | C6 | C7 | 110.6° | 109.5° |
| N2 | C6 | C8 | 110.7° | 109.5° |
| N2 | C6 | H10 | 109.0° | 109.5° |
| C6 | N2 | C2 | 122.2° | 120.0° |
| H9 | N2 | C2 | 118.9° | 120.0° |
| C7 | C6 | C8 | 109.8° | 109.4° |
| C7 | C6 | H10 | 108.4° | 109.5° |
| C6 | C7 | O2 | 123.6° | 120.0° |
| C6 | C7 | N5 | 111.5° | 120.1° |
| C8 | C6 | H10 | 108.3° | 109.5° |
| C6 | C8 | C9 | 113.8° | 109.4° |
| C6 | C8 | H11 | 108.4° | 109.5° |
| C6 | C8 | H12 | 108.4° | 109.5° |
| O2 | C7 | N5 | 124.7° | 120.0° |
| C9 | C8 | H11 | 108.4° | 109.5° |
| C9 | C8 | H12 | 108.4° | 109.5° |
| C8 | C9 | N3 | 123.6° | 125.9° |
| C8 | C9 | C10 | 128.8° | 126.0° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| N3 | C9 | C10 | 107.6° | 108.1° |
| C9 | N3 | C11 | 108.1° | 109.2° |
| C9 | N3 | H13 | 125.9° | 125.4° |
| C9 | C10 | N4 | 108.5° | 106.8° |
| C9 | C10 | H14 | 125.7° | 126.6° |
| C11 | N3 | H13 | 125.9° | 125.4° |
| N3 | C11 | N4 | 108.2° | 108.7° |
| N3 | C11 | H15 | 125.9° | 125.6° |
| N4 | C10 | H14 | 125.8° | 126.6° |
| C10 | N4 | C11 | 107.5° | 107.2° |
| C10 | N4 | H16 | 126.3° | 126.4° |
| N4 | C11 | H15 | 125.8° | 125.7° |
| C11 | N4 | H16 | 126.2° | 126.4° |
| C12 | N5 | C16 | 102.2° | 108.7° |
| N5 | C12 | C13 | 109.2° | 109.8° |
| N5 | C12 | C14 | 100.5° | 107.3° |
| N5 | C12 | H17 | 112.3° | 109.9° |
| C12 | N5 | C7 | 100.1° | 125.7° |
| N5 | C16 | C15 | 94.1° | 104.7° |
| N5 | C16 | H22 | 113.1° | 110.4° |
| N5 | C16 | H23 | 113.2° | 110.3° |
| C16 | N5 | C7 | 156.1° | 125.6° |
| C13 | C12 | C14 | 110.4° | 109.8° |
| C13 | C12 | H17 | 111.9° | 109.9° |
| C12 | C13 | O3 | 122.4° | 120.0° |
| C12 | C13 | N6 | 115.2° | 120.0° |
| C14 | C12 | H17 | 112.0° | 110.0° |
| C12 | C14 | C15 | 109.2° | 102.9° |
| C12 | C14 | H18 | 109.5° | 110.8° |
| C12 | C14 | H19 | 109.6° | 110.7° |
| O3 | C13 | N6 | 122.4° | 120.0° |
| C15 | C14 | H18 | 109.6° | 110.8° |
| C15 | C14 | H19 | 109.6° | 110.7° |
| C14 | C15 | C16 | 98.2° | 101.5° |
| C14 | C15 | H20 | 112.2° | 111.0° |
| C14 | C15 | H21 | 112.2° | 111.0° |
| H18 | C14 | H19 | 109.4° | 110.7° |
| C16 | C15 | H20 | 112.2° | 111.2° |
| C16 | C15 | H21 | 112.2° | 110.9° |
| C15 | C16 | H22 | 113.1° | 110.5° |
| C15 | C16 | H23 | 113.2° | 110.4° |
| H20 | C15 | H21 | 109.4° | 110.9° |
| H22 | C16 | H23 | 109.5° | 110.4° |
| C17 | N6 | H24 | 118.7° | 120.0° |
| N6 | C17 | C18 | 108.7° | 109.4° |
| N6 | C17 | C19 | 107.9° | 109.5° |
| N6 | C17 | H25 | 111.6° | 109.5° |
| C17 | N6 | C13 | 122.7° | 120.0° |
| H24 | N6 | C13 | 118.6° | 120.0° |
| C18 | C17 | C19 | 107.1° | 109.5° |
| C18 | C17 | H25 | 110.7° | 109.5° |
| C17 | C18 | O4 | 122.3° | 120.1° |
| C17 | C18 | N7 | 113.2° | 120.0° |
| C19 | C17 | H25 | 110.7° | 109.5° |
| C17 | C19 | C20 | 112.0° | 109.5° |
| C17 | C19 | H26 | 108.9° | 109.5° |
| C17 | C19 | H27 | 108.9° | 109.5° |
| O4 | C18 | N7 | 124.4° | 120.0° |
| C20 | C19 | H26 | 108.8° | 109.4° |
| C20 | C19 | H27 | 108.8° | 109.5° |
| C19 | C20 | C21 | 119.5° | 120.0° |
| C19 | C20 | C22 | 119.4° | 120.0° |
| H26 | C19 | H27 | 109.4° | 109.5° |
| C21 | C20 | C22 | 121.2° | 120.0° |
| C20 | C21 | C23 | 118.4° | 120.0° |
| C20 | C21 | H28 | 120.8° | 119.9° |
| C20 | C22 | C24 | 120.5° | 120.0° |
| C20 | C22 | H29 | 119.7° | 120.0° |
| C23 | C21 | H28 | 120.8° | 120.0° |
| C21 | C23 | C25 | 120.5° | 120.0° |
| C21 | C23 | H30 | 119.7° | 120.0° |
| C24 | C22 | H29 | 119.8° | 120.0° |
| C22 | C24 | C25 | 117.8° | 120.0° |
| C22 | C24 | H31 | 121.1° | 120.0° |
| C25 | C23 | H30 | 119.8° | 120.0° |
| C23 | C25 | C24 | 121.6° | 120.0° |
| C23 | C25 | H32 | 119.2° | 120.0° |
| C25 | C24 | H31 | 121.1° | 120.0° |
| C24 | C25 | H32 | 119.2° | 120.0° |
| C26 | N7 | H33 | 121.4° | 120.0° |
| N7 | C26 | C27 | 108.4° | 109.5° |
| N7 | C26 | C28 | 108.1° | 109.5° |
| N7 | C26 | H34 | 110.0° | 109.5° |
| C26 | N7 | C18 | 117.2° | 120.0° |
| H33 | N7 | C18 | 121.4° | 120.0° |
| C27 | C26 | C28 | 110.5° | 109.5° |
| C27 | C26 | H34 | 110.0° | 109.5° |
| C26 | C27 | O5 | 120.7° | 120.0° |
| C26 | C27 | N10 | 113.0° | 120.0° |
| C28 | C26 | H34 | 109.8° | 109.4° |
| C26 | C28 | C29 | 116.0° | 109.5° |
| C26 | C28 | H35 | 107.8° | 109.4° |
| C26 | C28 | H36 | 107.8° | 109.5° |
| O5 | C27 | N10 | 126.0° | 120.0° |
| C29 | C28 | H35 | 107.8° | 109.5° |
| C29 | C28 | H36 | 107.8° | 109.5° |
| C28 | C29 | N8 | 118.7° | 126.0° |
| C28 | C29 | C30 | 130.6° | 126.0° |
| H35 | C28 | H36 | 109.5° | 109.4° |
| N8 | C29 | C30 | 110.6° | 108.0° |
| C29 | N8 | C31 | 105.7° | 109.3° |
| C29 | N8 | H37 | 127.1° | 125.4° |
| C29 | C30 | N9 | 106.2° | 106.8° |
| C29 | C30 | H38 | 126.9° | 126.6° |
| C31 | N8 | H37 | 127.1° | 125.3° |
| N8 | C31 | N9 | 109.0° | 108.7° |
| N8 | C31 | H39 | 125.5° | 125.7° |
| N9 | C30 | H38 | 126.9° | 126.6° |
| C30 | N9 | C31 | 108.4° | 107.2° |
| C30 | N9 | H40 | 125.8° | 126.4° |
| N9 | C31 | H39 | 125.5° | 125.6° |
| C31 | N9 | H40 | 125.8° | 126.4° |
| C32 | N10 | H41 | 120.7° | 120.0° |
| N10 | C32 | C33 | 106.9° | 109.4° |
| N10 | C32 | C37 | 110.5° | 109.5° |
| N10 | C32 | H42 | 110.4° | 109.5° |
| C32 | N10 | C27 | 118.6° | 120.0° |
| H41 | N10 | C27 | 120.7° | 120.0° |
| C33 | C32 | C37 | 109.1° | 109.5° |
| C33 | C32 | H42 | 109.7° | 109.5° |
| C32 | C33 | C34 | 116.1° | 109.5° |
| C32 | C33 | H43 | 107.8° | 109.5° |
| C32 | C33 | H44 | 107.8° | 109.4° |
| C37 | C32 | H42 | 110.2° | 109.5° |
| C32 | C37 | O6 | 108.4° | 109.5° |
| C32 | C37 | C38 | 113.5° | 109.4° |
| C32 | C37 | H52 | 108.7° | 109.5° |
| C34 | C33 | H43 | 107.8° | 109.5° |
| C34 | C33 | H44 | 107.8° | 109.5° |
| C33 | C34 | C35 | 110.4° | 109.5° |
| C33 | C34 | C36 | 115.2° | 109.5° |
| C33 | C34 | H45 | 107.9° | 109.5° |
| H43 | C33 | H44 | 109.5° | 109.4° |
| C35 | C34 | C36 | 107.4° | 109.5° |
| C35 | C34 | H45 | 107.9° | 109.5° |
| C34 | C35 | H46 | 109.5° | 109.5° |
| C34 | C35 | H47 | 109.5° | 109.4° |
| C34 | C35 | H48 | 109.4° | 109.5° |
| C36 | C34 | H45 | 107.8° | 109.5° |
| C34 | C36 | H49 | 109.5° | 109.5° |
| C34 | C36 | H50 | 109.4° | 109.5° |
| C34 | C36 | H51 | 109.5° | 109.5° |
| H46 | C35 | H47 | 109.4° | 109.5° |
| H46 | C35 | H48 | 109.5° | 109.5° |
| H47 | C35 | H48 | 109.5° | 109.5° |
| H49 | C36 | H50 | 109.5° | 109.4° |
| H49 | C36 | H51 | 109.5° | 109.5° |
| H50 | C36 | H51 | 109.5° | 109.4° |
| O6 | C37 | C38 | 108.0° | 109.5° |
| O6 | C37 | H52 | 109.6° | 109.5° |
| C37 | O6 | H53 | 109.5° | 114.0° |
| C38 | C37 | H52 | 108.5° | 109.5° |
| C37 | C38 | C39 | 109.5° | 109.4° |
| C37 | C38 | H54 | 109.5° | 109.4° |
| C37 | C38 | H55 | 109.5° | 109.5° |
| C39 | C38 | H54 | 109.4° | 109.5° |
| C39 | C38 | H55 | 109.4° | 109.5° |
| C38 | C39 | O7 | 117.7° | 120.0° |
| C38 | C39 | N11 | 120.8° | 120.0° |
| H54 | C38 | H55 | 109.5° | 109.5° |
| O7 | C39 | N11 | 121.5° | 120.0° |
| C40 | N11 | H56 | 119.7° | 120.0° |
| N11 | C40 | C41 | 112.8° | 109.5° |
| N11 | C40 | C42 | 112.3° | 109.5° |
| N11 | C40 | H57 | 108.4° | 109.5° |
| C40 | N11 | C39 | 120.5° | 120.0° |
| H56 | N11 | C39 | 119.8° | 120.0° |
| C41 | C40 | C42 | 108.4° | 109.5° |
| C41 | C40 | H57 | 107.5° | 109.5° |
| C40 | C41 | O8 | 120.5° | 120.0° |
| C40 | C41 | N12 | 117.7° | 120.0° |
| C42 | C40 | H57 | 107.2° | 109.5° |
| C40 | C42 | C43 | 111.5° | 109.5° |
| C40 | C42 | C44 | 117.6° | 109.4° |
| C40 | C42 | H58 | 107.3° | 109.4° |
| O8 | C41 | N12 | 121.5° | 120.0° |
| C43 | C42 | C44 | 105.4° | 109.5° |
| C43 | C42 | H58 | 107.4° | 109.5° |
| C42 | C43 | H59 | 109.5° | 109.5° |
| C42 | C43 | H60 | 109.5° | 109.4° |
| C42 | C43 | H61 | 109.5° | 109.5° |
| C44 | C42 | H58 | 107.2° | 109.5° |
| C42 | C44 | H62 | 109.5° | 109.5° |
| C42 | C44 | H63 | 109.5° | 109.4° |
| C42 | C44 | H64 | 109.5° | 109.5° |
| H59 | C43 | H60 | 109.5° | 109.5° |
| H59 | C43 | H61 | 109.4° | 109.5° |
| H60 | C43 | H61 | 109.5° | 109.5° |
| H62 | C44 | H63 | 109.5° | 109.4° |
| H62 | C44 | H64 | 109.5° | 109.5° |
| H63 | C44 | H64 | 109.5° | 109.5° |
| C45 | N12 | H65 | 118.0° | 120.0° |
| N12 | C45 | C46 | 109.5° | 109.5° |
| N12 | C45 | C47 | 108.8° | 109.5° |
| N12 | C45 | H66 | 110.3° | 109.5° |
| C45 | N12 | C41 | 123.9° | 120.0° |
| H65 | N12 | C41 | 118.1° | 120.0° |
| C46 | C45 | C47 | 108.9° | 109.5° |
| C46 | C45 | H66 | 109.6° | 109.5° |
| C45 | C46 | O9 | 116.4° | 120.0° |
| C45 | C46 | N13 | 124.9° | 120.0° |
| C47 | C45 | H66 | 109.7° | 109.4° |
| C45 | C47 | C48 | 110.9° | 109.5° |
| C45 | C47 | C49 | 111.9° | 109.5° |
| C45 | C47 | H67 | 107.4° | 109.5° |
| O9 | C46 | N13 | 118.7° | 120.0° |
| C48 | C47 | C49 | 111.6° | 109.4° |
| C48 | C47 | H67 | 107.4° | 109.5° |
| C47 | C48 | C50 | 110.6° | 109.4° |
| C47 | C48 | H68 | 109.2° | 109.4° |
| C47 | C48 | H69 | 109.2° | 109.5° |
| C49 | C47 | H67 | 107.5° | 109.5° |
| C47 | C49 | H70 | 109.5° | 109.5° |
| C47 | C49 | H71 | 109.5° | 109.5° |
| C47 | C49 | H72 | 109.4° | 109.4° |
| C50 | C48 | H68 | 109.2° | 109.5° |
| C50 | C48 | H69 | 109.2° | 109.4° |
| C48 | C50 | H73 | 109.5° | 109.5° |
| C48 | C50 | H74 | 109.5° | 109.5° |
| C48 | C50 | H75 | 109.5° | 109.4° |
| H68 | C48 | H69 | 109.5° | 109.5° |
| H70 | C49 | H71 | 109.5° | 109.5° |
| H70 | C49 | H72 | 109.5° | 109.5° |
| H71 | C49 | H72 | 109.5° | 109.4° |
| H73 | C50 | H74 | 109.5° | 109.5° |
| H73 | C50 | H75 | 109.5° | 109.5° |
| H74 | C50 | H75 | 109.5° | 109.4° |
| C51 | N13 | H76 | 122.0° | 120.0° |
| N13 | C51 | C52 | 118.0° | 109.4° |
| N13 | C51 | C53 | 116.4° | 109.4° |
| N13 | C51 | H77 | 102.1° | 109.5° |
| C51 | N13 | C46 | 116.0° | 120.0° |
| H76 | N13 | C46 | 122.0° | 120.0° |
| C52 | C51 | C53 | 113.4° | 109.4° |
| C52 | C51 | H77 | 101.7° | 109.5° |
| C51 | C52 | O10 | 116.9° | 120.0° |
| C51 | C52 | N16 | 128.6° | 120.0° |
| C53 | C51 | H77 | 101.5° | 109.5° |
| C51 | C53 | C54 | 102.1° | 109.4° |
| C51 | C53 | H78 | 111.3° | 109.5° |
| C51 | C53 | H79 | 111.3° | 109.5° |
| O10 | C52 | N16 | 114.4° | 120.1° |
| C54 | C53 | H78 | 111.3° | 109.5° |
| C54 | C53 | H79 | 111.3° | 109.5° |
| C53 | C54 | N14 | 127.5° | 126.0° |
| C53 | C54 | C55 | 125.4° | 126.0° |
| H78 | C53 | H79 | 109.5° | 109.5° |
| N14 | C54 | C55 | 107.1° | 108.0° |
| C54 | N14 | C56 | 108.2° | 109.2° |
| C54 | N14 | H80 | 125.9° | 125.4° |
| C54 | C55 | N15 | 109.3° | 106.8° |
| C54 | C55 | H81 | 125.4° | 126.5° |
| C56 | N14 | H80 | 125.9° | 125.4° |
| N14 | C56 | N15 | 109.0° | 108.7° |
| N14 | C56 | H82 | 125.5° | 125.6° |
| N15 | C55 | H81 | 125.4° | 126.6° |
| C55 | N15 | C56 | 106.4° | 107.2° |
| C55 | N15 | H83 | 126.8° | 126.4° |
| N15 | C56 | H82 | 125.5° | 125.7° |
| C56 | N15 | H83 | 126.8° | 126.4° |
| C57 | N16 | H84 | 122.2° | 120.0° |
| N16 | C57 | C58 | 111.5° | 109.5° |
| N16 | C57 | C59 | 110.7° | 109.4° |
| N16 | C57 | H85 | 108.3° | 109.4° |
| C57 | N16 | C52 | 115.7° | 120.0° |
| H84 | N16 | C52 | 122.1° | 120.0° |
| C58 | C57 | C59 | 110.7° | 109.5° |
| C58 | C57 | H85 | 107.8° | 109.5° |
| C57 | C58 | O11 | 120.7° | 120.0° |
| C57 | C58 | O12 | 117.8° | 120.0° |
| C59 | C57 | H85 | 107.8° | 109.5° |
| C57 | C59 | C60 | 110.9° | 109.5° |
| C57 | C59 | H86 | 109.1° | 109.4° |
| C57 | C59 | H87 | 109.1° | 109.4° |
| O11 | C58 | O12 | 121.4° | 120.0° |
| C58 | O12 | H97 | 109.5° | 117.0° |
| C60 | C59 | H86 | 109.1° | 109.5° |
| C60 | C59 | H87 | 109.1° | 109.5° |
| C59 | C60 | C61 | 113.8° | 109.5° |
| C59 | C60 | H88 | 108.4° | 109.5° |
| C59 | C60 | H89 | 108.4° | 109.5° |
| H86 | C59 | H87 | 109.5° | 109.5° |
| C61 | C60 | H88 | 108.4° | 109.5° |
| C61 | C60 | H89 | 108.4° | 109.5° |
| C60 | C61 | C62 | 112.2° | 109.5° |
| C60 | C61 | H90 | 108.8° | 109.5° |
| C60 | C61 | H91 | 108.8° | 109.5° |
| H88 | C60 | H89 | 109.5° | 109.4° |
| C62 | C61 | H90 | 108.8° | 109.5° |
| C62 | C61 | H91 | 108.8° | 109.5° |
| C61 | C62 | N17 | 112.6° | 109.5° |
| C61 | C62 | H92 | 108.6° | 109.4° |
| C61 | C62 | H93 | 108.7° | 109.4° |
| H90 | C61 | H91 | 109.4° | 109.4° |
| N17 | C62 | H92 | 108.7° | 109.5° |
| N17 | C62 | H93 | 108.7° | 109.5° |
| C62 | N17 | H94 | 109.5° | 109.4° |
| C62 | N17 | H95 | 109.5° | 109.5° |
| C62 | N17 | H96 | 109.5° | 109.5° |
| H92 | C62 | H93 | 109.5° | 109.5° |
| H94 | N17 | H95 | 109.5° | 109.4° |
| H94 | N17 | H96 | 109.5° | 109.5° |
| H95 | N17 | H96 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C5 | H1 | 120.7° | 119.6° |
| N1 | C1 | C2 | C3 | 109.4° | 115.2° |
| N1 | C1 | C2 | H2 | 126.3° | 122.4° |
| N1 | C1 | C3 | H2 | 118.9° | 118.9° |
| N1 | C1 | C2 | O1 | 52.6° | 18.5° |
| N1 | C1 | C3 | C4 | 28.6° | 23.8° |
| N1 | C1 | C3 | H3 | 148.3° | 95.1° |
| N1 | C1 | C3 | H4 | 91.1° | 142.7° |
| C1 | N1 | C5 | C4 | 14.1° | 39.5° |
| C1 | N1 | C5 | H7 | 133.2° | 79.3° |
| C1 | N1 | C5 | H8 | 104.9° | 158.3° |
| N1 | C1 | C2 | N2 | 128.0° | 161.4° |
| C5 | N1 | C1 | C2 | 89.1° | 158.2° |
| C5 | N1 | C1 | C3 | 26.9° | 39.5° |
| C5 | N1 | C1 | H2 | 145.1° | 79.5° |
| N1 | C5 | C4 | C3 | 5.4° | 23.9° |
| N1 | C5 | C4 | H7 | 119.1° | 118.8° |
| N1 | C5 | C4 | H8 | 119.0° | 118.8° |
| N1 | C5 | C4 | H5 | 114.0° | 95.0° |
| N1 | C5 | C4 | H6 | 124.9° | 142.7° |
| N1 | C5 | H7 | H8 | 122.8° | 122.4° |
| H1 | N1 | C1 | C2 | 150.2° | 82.2° |
| H1 | N1 | C1 | C3 | 93.9° | 159.1° |
| H1 | N1 | C1 | H2 | 24.4° | 40.2° |
| H1 | N1 | C5 | C4 | 106.6° | 159.0° |
| H1 | N1 | C5 | H7 | 12.4° | 40.2° |
| H1 | N1 | C5 | H8 | 134.4° | 82.1° |
| C2 | C1 | C3 | H2 | 124.3° | 122.4° |
| C1 | C2 | O1 | N2 | 179.4° | 179.9° |
| C2 | C1 | C3 | C4 | 88.2° | 142.6° |
| C2 | C1 | C3 | H3 | 31.5° | 23.7° |
| C2 | C1 | C3 | H4 | 152.1° | 98.5° |
| C1 | C2 | N2 | C6 | 79.7° | 180.0° |
| C1 | C2 | N2 | H9 | 100.4° | 0.0° |
| C3 | C1 | C2 | O1 | 56.8° | 96.7° |
| C1 | C3 | C4 | H3 | 119.7° | 118.9° |
| C1 | C3 | C4 | H4 | 119.7° | 118.9° |
| C1 | C3 | H3 | H4 | 120.8° | 122.2° |
| C1 | C3 | C4 | C5 | 22.1° | 0.0° |
| C1 | C3 | C4 | H5 | 97.5° | 118.9° |
| C1 | C3 | C4 | H6 | 141.5° | 118.9° |
| C3 | C1 | C2 | N2 | 122.6° | 83.4° |
| H2 | C1 | C2 | O1 | 178.9° | 140.9° |
| H2 | C1 | C3 | C4 | 147.5° | 95.0° |
| H2 | C1 | C3 | H3 | 92.8° | 146.1° |
| H2 | C1 | C3 | H4 | 27.7° | 23.9° |
| H2 | C1 | C2 | N2 | 1.7° | 39.1° |
| O1 | C2 | N2 | C6 | 101.0° | 0.1° |
| O1 | C2 | N2 | H9 | 79.0° | 180.0° |
| C4 | C3 | H3 | H4 | 120.9° | 122.2° |
| C3 | C4 | C5 | H5 | 119.5° | 118.9° |
| C3 | C4 | C5 | H6 | 119.5° | 118.9° |
| C3 | C4 | H5 | H6 | 121.5° | 122.2° |
| C3 | C4 | C5 | H7 | 113.6° | 94.9° |
| C3 | C4 | C5 | H8 | 124.5° | 142.7° |
| H3 | C3 | C4 | C5 | 141.8° | 118.9° |
| H3 | C3 | C4 | H5 | 22.3° | 0.0° |
| H3 | C3 | C4 | H6 | 98.8° | 122.2° |
| H4 | C3 | C4 | C5 | 97.7° | 118.9° |
| H4 | C3 | C4 | H5 | 142.8° | 122.2° |
| H4 | C3 | C4 | H6 | 21.8° | 0.0° |
| C5 | C4 | H5 | H6 | 121.5° | 122.2° |
| C4 | C5 | H7 | H8 | 122.8° | 122.4° |
| H5 | C4 | C5 | H7 | 126.9° | 146.2° |
| H5 | C4 | C5 | H8 | 5.0° | 23.8° |
| H6 | C4 | C5 | H7 | 5.9° | 23.9° |
| H6 | C4 | C5 | H8 | 116.0° | 98.5° |
| C6 | N2 | H9 | C2 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 122.4° | 120.0° |
| N2 | C6 | C7 | H10 | 119.4° | 120.0° |
| N2 | C6 | C8 | H10 | 119.4° | 120.0° |
| N2 | C6 | C7 | O2 | 73.2° | 23.5° |
| N2 | C6 | C8 | C9 | 162.1° | 64.7° |
| N2 | C6 | C8 | H11 | 77.3° | 55.3° |
| N2 | C6 | C8 | H12 | 41.5° | 175.3° |
| N2 | C6 | C7 | N5 | 102.5° | 156.6° |
| H9 | N2 | C6 | C7 | 99.4° | 25.0° |
| H9 | N2 | C6 | C8 | 22.6° | 95.0° |
| H9 | N2 | C6 | H10 | 141.6° | 145.0° |
| C7 | C6 | C8 | H10 | 118.2° | 120.0° |
| C6 | C7 | O2 | N5 | 175.2° | 180.0° |
| C7 | C6 | C8 | C9 | 39.7° | 175.3° |
| C7 | C6 | C8 | H11 | 160.3° | 64.7° |
| C7 | C6 | C8 | H12 | 80.9° | 55.3° |
| C6 | C7 | N5 | C12 | 174.4° | 176.1° |
| C6 | C7 | N5 | C16 | 26.8° | 3.5° |
| C7 | C6 | N2 | C2 | 80.6° | 155.0° |
| C8 | C6 | C7 | O2 | 49.2° | 96.5° |
| C6 | C8 | C9 | H11 | 120.6° | 120.0° |
| C6 | C8 | C9 | H12 | 120.6° | 120.0° |
| C6 | C8 | H11 | H12 | 118.0° | 120.1° |
| C6 | C8 | C9 | N3 | 157.8° | 95.0° |
| C6 | C8 | C9 | C10 | 22.6° | 85.4° |
| C8 | C6 | N2 | C2 | 157.4° | 85.1° |
| C8 | C6 | C7 | N5 | 135.0° | 83.4° |
| H10 | C6 | C7 | O2 | 167.4° | 143.5° |
| H10 | C6 | C8 | C9 | 78.4° | 55.3° |
| H10 | C6 | C8 | H11 | 42.2° | 175.3° |
| H10 | C6 | C8 | H12 | 160.9° | 64.6° |
| H10 | C6 | N2 | C2 | 38.4° | 35.0° |
| H10 | C6 | C7 | N5 | 16.9° | 36.5° |
| O2 | C7 | N5 | C12 | 1.3° | 4.0° |
| O2 | C7 | N5 | C16 | 157.5° | 176.4° |
| C9 | C8 | H11 | H12 | 118.0° | 120.0° |
| C8 | C9 | N3 | C10 | 179.7° | 179.7° |
| C8 | C9 | N3 | C11 | 179.9° | 179.9° |
| C8 | C9 | N3 | H13 | 0.2° | 0.0° |
| C8 | C9 | C10 | N4 | 180.0° | 180.0° |
| C8 | C9 | C10 | H14 | 0.0° | 0.1° |
| H11 | C8 | C9 | N3 | 81.6° | 25.0° |
| H11 | C8 | C9 | C10 | 98.0° | 154.6° |
| H12 | C8 | C9 | N3 | 37.2° | 145.0° |
| H12 | C8 | C9 | C10 | 143.2° | 34.6° |
| C9 | N3 | C11 | H13 | 180.0° | 180.0° |
| N3 | C9 | C10 | N4 | 0.4° | 0.3° |
| N3 | C9 | C10 | H14 | 179.6° | 179.8° |
| C9 | N3 | C11 | N4 | 0.0° | 0.1° |
| C9 | N3 | C11 | H15 | 180.0° | 180.0° |
| C10 | C9 | N3 | C11 | 0.2° | 0.2° |
| C10 | C9 | N3 | H13 | 179.8° | 179.7° |
| C9 | C10 | N4 | H14 | 180.0° | 179.9° |
| C9 | C10 | N4 | C11 | 0.4° | 0.2° |
| C9 | C10 | N4 | H16 | 179.6° | 180.0° |
| N3 | C11 | N4 | C10 | 0.2° | 0.1° |
| N3 | C11 | N4 | H15 | 180.0° | 179.9° |
| N3 | C11 | N4 | H16 | 179.8° | 179.9° |
| H13 | N3 | C11 | N4 | 180.0° | 179.8° |
| H13 | N3 | C11 | H15 | 0.0° | 0.1° |
| C10 | N4 | C11 | H16 | 180.0° | 179.8° |
| C10 | N4 | C11 | H15 | 179.8° | 179.8° |
| H14 | C10 | N4 | C11 | 179.6° | 179.9° |
| H14 | C10 | N4 | H16 | 0.4° | 0.1° |
| H15 | C11 | N4 | H16 | 0.2° | 0.0° |
| C12 | N5 | C16 | C7 | 158.7° | 179.7° |
| N5 | C12 | C13 | C14 | 109.6° | 117.8° |
| N5 | C12 | C13 | H17 | 124.9° | 121.0° |
| N5 | C12 | C14 | H17 | 119.4° | 119.5° |
| N5 | C12 | C13 | O3 | 27.3° | 8.9° |
| N5 | C12 | C14 | C15 | 0.4° | 22.1° |
| N5 | C12 | C14 | H18 | 120.4° | 140.5° |
| N5 | C12 | C14 | H19 | 119.6° | 96.2° |
| C12 | N5 | C16 | C15 | 56.7° | 24.5° |
| C12 | N5 | C16 | H22 | 174.1° | 94.5° |
| C12 | N5 | C16 | H23 | 60.6° | 143.3° |
| N5 | C12 | C13 | N6 | 154.6° | 171.2° |
| C16 | N5 | C12 | C13 | 81.3° | 120.7° |
| C16 | N5 | C12 | C14 | 34.9° | 1.3° |
| C16 | N5 | C12 | H17 | 154.1° | 118.3° |
| N5 | C16 | C15 | C14 | 52.9° | 37.3° |
| N5 | C16 | C15 | H22 | 117.3° | 118.9° |
| N5 | C16 | C15 | H23 | 117.4° | 118.7° |
| N5 | C16 | C15 | H20 | 171.1° | 80.8° |
| N5 | C16 | C15 | H21 | 65.2° | 155.2° |
| N5 | C16 | H22 | H23 | 127.2° | 122.2° |
| C13 | C12 | C14 | H17 | 125.4° | 121.1° |
| C12 | C13 | O3 | N6 | 177.9° | 180.0° |
| C13 | C12 | C14 | C15 | 114.8° | 97.2° |
| C13 | C12 | C14 | H18 | 5.2° | 21.2° |
| C13 | C12 | C14 | H19 | 125.2° | 144.4° |
| C12 | C13 | N6 | C17 | 172.7° | 176.2° |
| C12 | C13 | N6 | H24 | 7.3° | 3.7° |
| C13 | C12 | N5 | C7 | 90.1° | 59.6° |
| C14 | C12 | C13 | O3 | 82.3° | 108.9° |
| C12 | C14 | C15 | H18 | 120.0° | 118.4° |
| C12 | C14 | C15 | H19 | 120.0° | 118.3° |
| C12 | C14 | H18 | H19 | 120.1° | 123.2° |
| C12 | C14 | C15 | C16 | 35.5° | 35.6° |
| C12 | C14 | C15 | H20 | 153.6° | 82.6° |
| C12 | C14 | C15 | H21 | 82.6° | 153.6° |
| C14 | C12 | N5 | C7 | 153.8° | 179.0° |
| C14 | C12 | C13 | N6 | 95.8° | 71.1° |
| H17 | C12 | C13 | O3 | 152.2° | 129.9° |
| H17 | C12 | C14 | C15 | 119.8° | 141.7° |
| H17 | C12 | C14 | H18 | 120.2° | 99.9° |
| H17 | C12 | C14 | H19 | 0.2° | 23.3° |
| H17 | C12 | N5 | C7 | 34.5° | 61.4° |
| H17 | C12 | C13 | N6 | 29.7° | 50.1° |
| O3 | C13 | N6 | C17 | 9.3° | 3.8° |
| O3 | C13 | N6 | H24 | 170.7° | 176.3° |
| C15 | C14 | H18 | H19 | 120.1° | 123.2° |
| C14 | C15 | C16 | H20 | 118.1° | 118.1° |
| C14 | C15 | C16 | H21 | 118.2° | 117.9° |
| C14 | C15 | H20 | H21 | 125.3° | 123.8° |
| C14 | C15 | C16 | H22 | 170.3° | 81.6° |
| C14 | C15 | C16 | H23 | 64.5° | 156.0° |
| H18 | C14 | C15 | C16 | 84.5° | 154.1° |
| H18 | C14 | C15 | H20 | 33.7° | 35.8° |
| H18 | C14 | C15 | H21 | 157.4° | 88.0° |
| H19 | C14 | C15 | C16 | 155.5° | 82.7° |
| H19 | C14 | C15 | H20 | 86.4° | 159.0° |
| H19 | C14 | C15 | H21 | 37.4° | 35.2° |
| C16 | C15 | H20 | H21 | 125.2° | 124.0° |
| C15 | C16 | H22 | H23 | 127.2° | 122.4° |
| C15 | C16 | N5 | C7 | 144.6° | 155.8° |
| H20 | C15 | C16 | H22 | 71.6° | 160.3° |
| H20 | C15 | C16 | H23 | 53.7° | 37.9° |
| H21 | C15 | C16 | H22 | 52.1° | 36.4° |
| H21 | C15 | C16 | H23 | 177.4° | 86.0° |
| H22 | C16 | N5 | C7 | 27.2° | 85.2° |
| H23 | C16 | N5 | C7 | 98.0° | 37.1° |
| C17 | N6 | H24 | C13 | 180.0° | 179.9° |
| N6 | C17 | C18 | C19 | 116.3° | 120.0° |
| N6 | C17 | C18 | H25 | 122.9° | 120.0° |
| N6 | C17 | C19 | H25 | 122.3° | 120.0° |
| N6 | C17 | C18 | O4 | 29.6° | 0.0° |
| N6 | C17 | C19 | C20 | 79.3° | 66.0° |
| N6 | C17 | C19 | H26 | 41.1° | 54.0° |
| N6 | C17 | C19 | H27 | 160.3° | 174.0° |
| N6 | C17 | C18 | N7 | 153.6° | 180.0° |
| H24 | N6 | C17 | C18 | 74.6° | 44.4° |
| H24 | N6 | C17 | C19 | 41.3° | 75.6° |
| H24 | N6 | C17 | H25 | 163.1° | 164.4° |
| C18 | C17 | C19 | H25 | 120.8° | 120.0° |
| C17 | C18 | O4 | N7 | 176.5° | 179.9° |
| C18 | C17 | C19 | C20 | 163.9° | 174.1° |
| C18 | C17 | C19 | H26 | 75.7° | 66.0° |
| C18 | C17 | C19 | H27 | 43.5° | 54.1° |
| C17 | C18 | N7 | C26 | 173.9° | 180.0° |
| C17 | C18 | N7 | H33 | 6.2° | 0.0° |
| C18 | C17 | N6 | C13 | 105.5° | 135.7° |
| C19 | C17 | C18 | O4 | 86.7° | 120.0° |
| C17 | C19 | C20 | H26 | 120.4° | 120.0° |
| C17 | C19 | C20 | H27 | 120.4° | 120.0° |
| C17 | C19 | H26 | H27 | 118.9° | 120.0° |
| C17 | C19 | C20 | C21 | 102.2° | 91.0° |
| C17 | C19 | C20 | C22 | 77.3° | 89.3° |
| C19 | C17 | N6 | C13 | 138.7° | 104.3° |
| C19 | C17 | C18 | N7 | 90.1° | 60.0° |
| H25 | C17 | C18 | O4 | 152.5° | 120.0° |
| H25 | C17 | C19 | C20 | 43.1° | 54.0° |
| H25 | C17 | C19 | H26 | 163.5° | 174.0° |
| H25 | C17 | C19 | H27 | 77.3° | 66.0° |
| H25 | C17 | N6 | C13 | 16.9° | 15.7° |
| H25 | C17 | C18 | N7 | 30.7° | 60.0° |
| O4 | C18 | N7 | C26 | 2.9° | 0.1° |
| O4 | C18 | N7 | H33 | 177.1° | 179.9° |
| C20 | C19 | H26 | H27 | 118.8° | 120.0° |
| C19 | C20 | C21 | C22 | 179.5° | 179.8° |
| C19 | C20 | C21 | C23 | 179.7° | 180.0° |
| C19 | C20 | C21 | H28 | 0.3° | 0.0° |
| C19 | C20 | C22 | C24 | 179.8° | 180.0° |
| C19 | C20 | C22 | H29 | 0.2° | 0.0° |
| H26 | C19 | C20 | C21 | 137.4° | 29.0° |
| H26 | C19 | C20 | C22 | 43.1° | 150.7° |
| H27 | C19 | C20 | C21 | 18.2° | 149.0° |
| H27 | C19 | C20 | C22 | 162.3° | 30.7° |
| C20 | C21 | C23 | H28 | 180.0° | 179.9° |
| C21 | C20 | C22 | C24 | 0.7° | 0.2° |
| C21 | C20 | C22 | H29 | 179.3° | 179.7° |
| C20 | C21 | C23 | C25 | 0.5° | 0.1° |
| C20 | C21 | C23 | H30 | 179.5° | 180.0° |
| C22 | C20 | C21 | C23 | 0.2° | 0.2° |
| C22 | C20 | C21 | H28 | 179.8° | 179.7° |
| C20 | C22 | C24 | H29 | 180.0° | 180.0° |
| C20 | C22 | C24 | C25 | 0.4° | 0.0° |
| C20 | C22 | C24 | H31 | 179.6° | 180.0° |
| C21 | C23 | C25 | H30 | 180.0° | 179.9° |
| C21 | C23 | C25 | C24 | 0.8° | 0.3° |
| C21 | C23 | C25 | H32 | 179.2° | 180.0° |
| H28 | C21 | C23 | C25 | 179.5° | 180.0° |
| H28 | C21 | C23 | H30 | 0.5° | 0.1° |
| C22 | C24 | C25 | C23 | 0.3° | 0.3° |
| C22 | C24 | C25 | H31 | 180.0° | 180.0° |
| C22 | C24 | C25 | H32 | 179.7° | 180.0° |
| H29 | C22 | C24 | C25 | 179.5° | 180.0° |
| H29 | C22 | C24 | H31 | 0.4° | 0.0° |
| C23 | C25 | C24 | H32 | 180.0° | 179.7° |
| C23 | C25 | C24 | H31 | 179.7° | 179.7° |
| H30 | C23 | C25 | C24 | 179.2° | 179.8° |
| H30 | C23 | C25 | H32 | 0.8° | 0.1° |
| H31 | C24 | C25 | H32 | 0.3° | 0.0° |
| C26 | N7 | H33 | C18 | 180.0° | 180.0° |
| N7 | C26 | C27 | C28 | 118.3° | 120.0° |
| N7 | C26 | C27 | H34 | 120.3° | 120.0° |
| N7 | C26 | C28 | H34 | 120.0° | 120.0° |
| N7 | C26 | C27 | O5 | 78.1° | 0.0° |
| N7 | C26 | C28 | C29 | 173.8° | 64.9° |
| N7 | C26 | C28 | H35 | 65.3° | 55.0° |
| N7 | C26 | C28 | H36 | 52.8° | 175.0° |
| N7 | C26 | C27 | N10 | 96.1° | 180.0° |
| H33 | N7 | C26 | C27 | 30.3° | 25.0° |
| H33 | N7 | C26 | C28 | 89.5° | 95.1° |
| H33 | N7 | C26 | H34 | 150.6° | 145.0° |
| C27 | C26 | C28 | H34 | 121.5° | 120.0° |
| C26 | C27 | O5 | N10 | 173.4° | 179.9° |
| C27 | C26 | C28 | C29 | 55.3° | 175.0° |
| C27 | C26 | C28 | H35 | 176.3° | 65.0° |
| C27 | C26 | C28 | H36 | 65.6° | 55.0° |
| C26 | C27 | N10 | C32 | 167.0° | 180.0° |
| C26 | C27 | N10 | H41 | 13.0° | 0.1° |
| C27 | C26 | N7 | C18 | 149.7° | 155.0° |
| C28 | C26 | C27 | O5 | 40.2° | 120.0° |
| C26 | C28 | C29 | H35 | 121.0° | 120.0° |
| C26 | C28 | C29 | H36 | 120.9° | 120.1° |
| C26 | C28 | H35 | H36 | 117.0° | 120.0° |
| C26 | C28 | C29 | N8 | 163.3° | 95.0° |
| C26 | C28 | C29 | C30 | 13.8° | 85.3° |
| C28 | C26 | C27 | N10 | 145.6° | 59.9° |
| C28 | C26 | N7 | C18 | 90.5° | 84.9° |
| H34 | C26 | C27 | O5 | 161.6° | 120.0° |
| H34 | C26 | C28 | C29 | 66.2° | 55.0° |
| H34 | C26 | C28 | H35 | 54.8° | 175.0° |
| H34 | C26 | C28 | H36 | 172.9° | 65.0° |
| H34 | C26 | C27 | N10 | 24.2° | 60.0° |
| H34 | C26 | N7 | C18 | 29.4° | 35.0° |
| O5 | C27 | N10 | C32 | 6.8° | 0.0° |
| O5 | C27 | N10 | H41 | 173.2° | 180.0° |
| C29 | C28 | H35 | H36 | 117.1° | 120.0° |
| C28 | C29 | N8 | C30 | 177.7° | 179.8° |
| C28 | C29 | N8 | C31 | 177.8° | 180.0° |
| C28 | C29 | N8 | H37 | 2.1° | 0.0° |
| C28 | C29 | C30 | N9 | 177.9° | 180.0° |
| C28 | C29 | C30 | H38 | 2.1° | 0.0° |
| H35 | C28 | C29 | N8 | 75.7° | 25.0° |
| H35 | C28 | C29 | C30 | 107.1° | 154.7° |
| H36 | C28 | C29 | N8 | 42.4° | 145.0° |
| H36 | C28 | C29 | C30 | 134.8° | 34.8° |
| C29 | N8 | C31 | H37 | 180.0° | 180.0° |
| N8 | C29 | C30 | N9 | 0.5° | 0.2° |
| N8 | C29 | C30 | H38 | 179.5° | 179.7° |
| C29 | N8 | C31 | N9 | 0.3° | 0.2° |
| C29 | N8 | C31 | H39 | 179.7° | 179.9° |
| C30 | C29 | N8 | C31 | 0.1° | 0.2° |
| C30 | C29 | N8 | H37 | 179.8° | 179.8° |
| C29 | C30 | N9 | H38 | 180.0° | 179.9° |
| C29 | C30 | N9 | C31 | 0.7° | 0.1° |
| C29 | C30 | N9 | H40 | 179.3° | 180.0° |
| N8 | C31 | N9 | C30 | 0.7° | 0.1° |
| N8 | C31 | N9 | H39 | 180.0° | 179.8° |
| N8 | C31 | N9 | H40 | 179.4° | 179.9° |
| H37 | N8 | C31 | N9 | 179.7° | 179.8° |
| H37 | N8 | C31 | H39 | 0.3° | 0.0° |
| C30 | N9 | C31 | H40 | 180.0° | 179.9° |
| C30 | N9 | C31 | H39 | 179.3° | 179.8° |
| H38 | C30 | N9 | C31 | 179.3° | 179.8° |
| H38 | C30 | N9 | H40 | 0.7° | 0.1° |
| H39 | C31 | N9 | H40 | 0.6° | 0.1° |
| C32 | N10 | H41 | C27 | 180.0° | 179.9° |
| N10 | C32 | C33 | C37 | 119.5° | 120.0° |
| N10 | C32 | C33 | H42 | 119.7° | 120.0° |
| N10 | C32 | C37 | H42 | 122.3° | 120.0° |
| N10 | C32 | C33 | C34 | 61.0° | 65.0° |
| N10 | C32 | C33 | H43 | 59.9° | 55.0° |
| N10 | C32 | C33 | H44 | 178.0° | 175.0° |
| N10 | C32 | C37 | O6 | 56.0° | 60.0° |
| N10 | C32 | C37 | C38 | 64.0° | 60.0° |
| N10 | C32 | C37 | H52 | 175.1° | 180.0° |
| H41 | N10 | C32 | C33 | 65.4° | 95.0° |
| H41 | N10 | C32 | C37 | 53.2° | 25.0° |
| H41 | N10 | C32 | H42 | 175.4° | 145.0° |
| C33 | C32 | C37 | H42 | 120.4° | 120.0° |
| C32 | C33 | C34 | H43 | 121.0° | 120.0° |
| C32 | C33 | C34 | H44 | 121.0° | 120.0° |
| C32 | C33 | H43 | H44 | 117.0° | 119.9° |
| C32 | C33 | C34 | C35 | 179.5° | 175.0° |
| C32 | C33 | C34 | C36 | 57.7° | 65.0° |
| C32 | C33 | C34 | H45 | 62.9° | 55.1° |
| C33 | C32 | C37 | O6 | 61.2° | 60.0° |
| C33 | C32 | C37 | C38 | 178.8° | 180.0° |
| C33 | C32 | C37 | H52 | 57.9° | 60.1° |
| C33 | C32 | N10 | C27 | 114.6° | 85.0° |
| C37 | C32 | C33 | C34 | 179.5° | 175.0° |
| C37 | C32 | C33 | H43 | 59.5° | 64.9° |
| C37 | C32 | C33 | H44 | 58.5° | 55.0° |
| C32 | C37 | O6 | C38 | 123.4° | 120.0° |
| C32 | C37 | O6 | H52 | 118.5° | 120.0° |
| C32 | C37 | C38 | H52 | 121.0° | 120.0° |
| C32 | C37 | O6 | H53 | 180.0° | 60.0° |
| C32 | C37 | C38 | C39 | 81.8° | 175.0° |
| C32 | C37 | C38 | H54 | 158.2° | 65.1° |
| C32 | C37 | C38 | H55 | 38.2° | 55.0° |
| C37 | C32 | N10 | C27 | 126.8° | 155.1° |
| H42 | C32 | C33 | C34 | 58.7° | 55.0° |
| H42 | C32 | C33 | H43 | 179.7° | 175.0° |
| H42 | C32 | C33 | H44 | 62.3° | 65.0° |
| H42 | C32 | C37 | O6 | 178.4° | 180.0° |
| H42 | C32 | C37 | C38 | 58.3° | 60.0° |
| H42 | C32 | C37 | H52 | 62.6° | 60.0° |
| H42 | C32 | N10 | C27 | 4.6° | 35.0° |
| C34 | C33 | H43 | H44 | 117.0° | 120.0° |
| C33 | C34 | C35 | C36 | 126.3° | 120.0° |
| C33 | C34 | C35 | H45 | 117.7° | 120.0° |
| C33 | C34 | C36 | H45 | 120.6° | 120.0° |
| C33 | C34 | C35 | H46 | 180.0° | 60.0° |
| C33 | C34 | C35 | H47 | 60.0° | 180.0° |
| C33 | C34 | C35 | H48 | 60.0° | 60.0° |
| C33 | C34 | C36 | H49 | 180.0° | 180.0° |
| C33 | C34 | C36 | H50 | 60.0° | 60.0° |
| C33 | C34 | C36 | H51 | 60.0° | 59.9° |
| H43 | C33 | C34 | C35 | 59.6° | 55.0° |
| H43 | C33 | C34 | C36 | 178.6° | 175.0° |
| H43 | C33 | C34 | H45 | 58.1° | 65.0° |
| H44 | C33 | C34 | C35 | 58.5° | 65.0° |
| H44 | C33 | C34 | C36 | 63.3° | 55.0° |
| H44 | C33 | C34 | H45 | 176.2° | 175.0° |
| C35 | C34 | C36 | H45 | 116.0° | 120.0° |
| C34 | C35 | H46 | H47 | 120.0° | 120.0° |
| C34 | C35 | H46 | H48 | 120.0° | 120.0° |
| C34 | C35 | H47 | H48 | 120.0° | 120.0° |
| C35 | C34 | C36 | H49 | 56.6° | 60.0° |
| C35 | C34 | C36 | H50 | 63.4° | 60.0° |
| C35 | C34 | C36 | H51 | 176.6° | 179.9° |
| C36 | C34 | C35 | H46 | 53.7° | 60.0° |
| C36 | C34 | C35 | H47 | 173.7° | 60.0° |
| C36 | C34 | C35 | H48 | 66.3° | 180.0° |
| C34 | C36 | H49 | H50 | 120.0° | 120.0° |
| C34 | C36 | H49 | H51 | 120.0° | 120.1° |
| C34 | C36 | H50 | H51 | 120.0° | 120.0° |
| H45 | C34 | C35 | H46 | 62.3° | 180.0° |
| H45 | C34 | C35 | H47 | 57.7° | 60.0° |
| H45 | C34 | C35 | H48 | 177.7° | 60.0° |
| H45 | C34 | C36 | H49 | 59.4° | 60.0° |
| H45 | C34 | C36 | H50 | 179.4° | 180.0° |
| H45 | C34 | C36 | H51 | 60.6° | 60.1° |
| H46 | C35 | H47 | H48 | 120.0° | 120.0° |
| H49 | C36 | H50 | H51 | 120.0° | 120.0° |
| O6 | C37 | C38 | H52 | 118.8° | 120.0° |
| O6 | C37 | C38 | C39 | 157.9° | 65.0° |
| O6 | C37 | C38 | H54 | 37.9° | 55.0° |
| O6 | C37 | C38 | H55 | 82.1° | 175.0° |
| C38 | C37 | O6 | H53 | 56.6° | 59.9° |
| C37 | C38 | C39 | H54 | 120.0° | 120.0° |
| C37 | C38 | C39 | H55 | 120.0° | 120.0° |
| C37 | C38 | H54 | H55 | 120.0° | 120.0° |
| C37 | C38 | C39 | O7 | 91.8° | 0.0° |
| C37 | C38 | C39 | N11 | 89.4° | 180.0° |
| H52 | C37 | O6 | H53 | 61.5° | 180.0° |
| H52 | C37 | C38 | C39 | 39.2° | 55.0° |
| H52 | C37 | C38 | H54 | 80.8° | 175.0° |
| H52 | C37 | C38 | H55 | 159.2° | 65.0° |
| C39 | C38 | H54 | H55 | 119.9° | 120.0° |
| C38 | C39 | O7 | N11 | 178.8° | 180.0° |
| C38 | C39 | N11 | C40 | 179.9° | 180.0° |
| C38 | C39 | N11 | H56 | 0.1° | 0.0° |
| H54 | C38 | C39 | O7 | 148.2° | 120.0° |
| H54 | C38 | C39 | N11 | 30.6° | 60.0° |
| H55 | C38 | C39 | O7 | 28.3° | 120.0° |
| H55 | C38 | C39 | N11 | 150.5° | 60.0° |
| O7 | C39 | N11 | C40 | 1.1° | 0.0° |
| O7 | C39 | N11 | H56 | 178.9° | 180.0° |
| C40 | N11 | H56 | C39 | 180.0° | 180.0° |
| N11 | C40 | C41 | C42 | 125.0° | 120.0° |
| N11 | C40 | C41 | H57 | 119.4° | 120.0° |
| N11 | C40 | C42 | H57 | 119.0° | 120.0° |
| N11 | C40 | C41 | O8 | 27.3° | 6.9° |
| N11 | C40 | C42 | C43 | 68.3° | 64.3° |
| N11 | C40 | C42 | C44 | 169.9° | 55.7° |
| N11 | C40 | C42 | H58 | 49.0° | 175.6° |
| N11 | C40 | C41 | N12 | 146.9° | 173.1° |
| H56 | N11 | C40 | C41 | 100.9° | 25.0° |
| H56 | N11 | C40 | C42 | 21.9° | 95.0° |
| H56 | N11 | C40 | H57 | 140.2° | 145.0° |
| C41 | C40 | C42 | H57 | 115.7° | 120.0° |
| C40 | C41 | O8 | N12 | 174.0° | 180.0° |
| C41 | C40 | C42 | C43 | 57.0° | 175.6° |
| C41 | C40 | C42 | C44 | 64.9° | 64.4° |
| C41 | C40 | C42 | H58 | 174.3° | 55.6° |
| C40 | C41 | N12 | C45 | 165.7° | 174.9° |
| C40 | C41 | N12 | H65 | 14.3° | 5.2° |
| C41 | C40 | N11 | C39 | 79.1° | 155.0° |
| C42 | C40 | C41 | O8 | 97.7° | 113.1° |
| C40 | C42 | C43 | C44 | 128.6° | 119.9° |
| C40 | C42 | C43 | H58 | 117.3° | 120.0° |
| C40 | C42 | C44 | H58 | 120.9° | 119.9° |
| C40 | C42 | C43 | H59 | 180.0° | 60.2° |
| C40 | C42 | C43 | H60 | 60.0° | 179.8° |
| C40 | C42 | C43 | H61 | 60.0° | 59.8° |
| C40 | C42 | C44 | H62 | 180.0° | 60.0° |
| C40 | C42 | C44 | H63 | 60.0° | 180.0° |
| C40 | C42 | C44 | H64 | 60.0° | 60.1° |
| C42 | C40 | N11 | C39 | 158.1° | 85.0° |
| C42 | C40 | C41 | N12 | 88.1° | 66.9° |
| H57 | C40 | C41 | O8 | 146.7° | 126.9° |
| H57 | C40 | C42 | C43 | 172.7° | 55.6° |
| H57 | C40 | C42 | C44 | 50.9° | 175.6° |
| H57 | C40 | C42 | H58 | 70.0° | 64.4° |
| H57 | C40 | N11 | C39 | 39.8° | 35.0° |
| H57 | C40 | C41 | N12 | 27.5° | 53.1° |
| O8 | C41 | N12 | C45 | 20.2° | 5.1° |
| O8 | C41 | N12 | H65 | 159.8° | 174.8° |
| C43 | C42 | C44 | H58 | 114.2° | 120.1° |
| C42 | C43 | H59 | H60 | 120.0° | 120.0° |
| C42 | C43 | H59 | H61 | 120.0° | 120.0° |
| C42 | C43 | H60 | H61 | 120.0° | 120.0° |
| C43 | C42 | C44 | H62 | 55.1° | 180.0° |
| C43 | C42 | C44 | H63 | 64.9° | 60.1° |
| C43 | C42 | C44 | H64 | 175.1° | 59.9° |
| C44 | C42 | C43 | H59 | 51.4° | 59.7° |
| C44 | C42 | C43 | H60 | 171.4° | 60.3° |
| C44 | C42 | C43 | H61 | 68.6° | 179.7° |
| C42 | C44 | H62 | H63 | 120.0° | 119.9° |
| C42 | C44 | H62 | H64 | 120.0° | 120.1° |
| C42 | C44 | H63 | H64 | 120.0° | 120.0° |
| H58 | C42 | C43 | H59 | 62.7° | 179.8° |
| H58 | C42 | C43 | H60 | 57.3° | 59.8° |
| H58 | C42 | C43 | H61 | 177.3° | 60.2° |
| H58 | C42 | C44 | H62 | 59.1° | 59.9° |
| H58 | C42 | C44 | H63 | 179.1° | 60.0° |
| H58 | C42 | C44 | H64 | 60.9° | 180.0° |
| H59 | C43 | H60 | H61 | 120.0° | 120.0° |
| H62 | C44 | H63 | H64 | 120.0° | 120.0° |
| C45 | N12 | H65 | C41 | 180.0° | 179.9° |
| N12 | C45 | C46 | C47 | 118.8° | 120.0° |
| N12 | C45 | C46 | H66 | 121.2° | 120.0° |
| N12 | C45 | C47 | H66 | 120.7° | 120.0° |
| N12 | C45 | C46 | O9 | 58.8° | 0.9° |
| N12 | C45 | C47 | C48 | 54.2° | 53.0° |
| N12 | C45 | C47 | C49 | 179.5° | 66.9° |
| N12 | C45 | C47 | H67 | 62.8° | 173.0° |
| N12 | C45 | C46 | N13 | 122.3° | 179.0° |
| H65 | N12 | C45 | C46 | 90.1° | 32.7° |
| H65 | N12 | C45 | C47 | 28.8° | 87.3° |
| H65 | N12 | C45 | H66 | 149.1° | 152.7° |
| C46 | C45 | C47 | H66 | 120.0° | 120.0° |
| C45 | C46 | O9 | N13 | 179.0° | 180.0° |
| C46 | C45 | C47 | C48 | 173.5° | 67.0° |
| C46 | C45 | C47 | C49 | 61.2° | 173.0° |
| C46 | C45 | C47 | H67 | 56.5° | 53.0° |
| C45 | C46 | N13 | C51 | 156.6° | 175.4° |
| C45 | C46 | N13 | H76 | 23.4° | 4.5° |
| C46 | C45 | N12 | C41 | 89.9° | 147.2° |
| C47 | C45 | C46 | O9 | 60.0° | 120.9° |
| C45 | C47 | C48 | C49 | 125.4° | 120.0° |
| C45 | C47 | C48 | H67 | 117.0° | 120.0° |
| C45 | C47 | C49 | H67 | 117.6° | 120.0° |
| C45 | C47 | C48 | C50 | 145.6° | 68.3° |
| C45 | C47 | C48 | H68 | 94.3° | 171.7° |
| C45 | C47 | C48 | H69 | 25.4° | 51.7° |
| C45 | C47 | C49 | H70 | 180.0° | 65.7° |
| C45 | C47 | C49 | H71 | 60.0° | 174.2° |
| C45 | C47 | C49 | H72 | 60.0° | 54.2° |
| C47 | C45 | N12 | C41 | 151.2° | 92.8° |
| C47 | C45 | C46 | N13 | 118.9° | 59.0° |
| H66 | C45 | C46 | O9 | 180.0° | 119.1° |
| H66 | C45 | C47 | C48 | 66.5° | 173.0° |
| H66 | C45 | C47 | C49 | 58.7° | 53.0° |
| H66 | C45 | C47 | H67 | 176.4° | 67.0° |
| H66 | C45 | N12 | C41 | 30.9° | 27.2° |
| H66 | C45 | C46 | N13 | 1.1° | 60.9° |
| O9 | C46 | N13 | C51 | 22.4° | 4.5° |
| O9 | C46 | N13 | H76 | 157.6° | 175.5° |
| C48 | C47 | C49 | H67 | 117.5° | 120.0° |
| C47 | C48 | C50 | H68 | 120.2° | 120.0° |
| C47 | C48 | C50 | H69 | 120.2° | 119.9° |
| C47 | C48 | H68 | H69 | 119.5° | 120.0° |
| C48 | C47 | C49 | H70 | 55.1° | 54.2° |
| C48 | C47 | C49 | H71 | 175.1° | 65.8° |
| C48 | C47 | C49 | H72 | 64.9° | 174.2° |
| C47 | C48 | C50 | H73 | 180.0° | 75.9° |
| C47 | C48 | C50 | H74 | 60.0° | 44.1° |
| C47 | C48 | C50 | H75 | 60.0° | 164.0° |
| C49 | C47 | C48 | C50 | 89.0° | 171.7° |
| C49 | C47 | C48 | H68 | 31.2° | 51.7° |
| C49 | C47 | C48 | H69 | 150.8° | 68.3° |
| C47 | C49 | H70 | H71 | 120.0° | 120.1° |
| C47 | C49 | H70 | H72 | 120.0° | 119.9° |
| C47 | C49 | H71 | H72 | 120.0° | 119.9° |
| H67 | C47 | C48 | C50 | 28.5° | 51.7° |
| H67 | C47 | C48 | H68 | 148.7° | 68.3° |
| H67 | C47 | C48 | H69 | 91.7° | 171.7° |
| H67 | C47 | C49 | H70 | 62.4° | 174.2° |
| H67 | C47 | C49 | H71 | 57.6° | 54.1° |
| H67 | C47 | C49 | H72 | 177.6° | 65.8° |
| C50 | C48 | H68 | H69 | 119.5° | 120.0° |
| C48 | C50 | H73 | H74 | 120.0° | 120.1° |
| C48 | C50 | H73 | H75 | 120.0° | 120.0° |
| C48 | C50 | H74 | H75 | 120.0° | 119.9° |
| H68 | C48 | C50 | H73 | 59.8° | 164.1° |
| H68 | C48 | C50 | H74 | 179.8° | 75.8° |
| H68 | C48 | C50 | H75 | 60.2° | 44.1° |
| H69 | C48 | C50 | H73 | 59.8° | 44.0° |
| H69 | C48 | C50 | H74 | 60.2° | 164.1° |
| H69 | C48 | C50 | H75 | 179.8° | 76.0° |
| H70 | C49 | H71 | H72 | 120.0° | 120.0° |
| H73 | C50 | H74 | H75 | 120.0° | 120.0° |
| C51 | N13 | H76 | C46 | 180.0° | 179.9° |
| N13 | C51 | C52 | C53 | 141.2° | 119.9° |
| N13 | C51 | C52 | H77 | 110.7° | 120.1° |
| N13 | C51 | C53 | H77 | 109.9° | 120.1° |
| N13 | C51 | C52 | O10 | 122.2° | 0.1° |
| N13 | C51 | C53 | C54 | 156.8° | 65.0° |
| N13 | C51 | C53 | H78 | 38.0° | 55.0° |
| N13 | C51 | C53 | H79 | 84.4° | 175.0° |
| N13 | C51 | C52 | N16 | 62.2° | 180.0° |
| H76 | N13 | C51 | C52 | 72.5° | 24.9° |
| H76 | N13 | C51 | C53 | 67.6° | 95.1° |
| H76 | N13 | C51 | H77 | 177.1° | 144.9° |
| C52 | C51 | C53 | H77 | 108.3° | 120.0° |
| C51 | C52 | O10 | N16 | 176.2° | 180.0° |
| C52 | C51 | C53 | C54 | 61.4° | 175.0° |
| C52 | C51 | C53 | H78 | 179.9° | 65.0° |
| C52 | C51 | C53 | H79 | 57.5° | 55.0° |
| C51 | C52 | N16 | C57 | 179.5° | 180.0° |
| C51 | C52 | N16 | H84 | 0.5° | 0.1° |
| C52 | C51 | N13 | C46 | 107.5° | 155.0° |
| C53 | C51 | C52 | O10 | 96.5° | 120.0° |
| C51 | C53 | C54 | H78 | 118.8° | 120.0° |
| C51 | C53 | C54 | H79 | 118.8° | 120.0° |
| C51 | C53 | H78 | H79 | 123.4° | 120.0° |
| C51 | C53 | C54 | N14 | 139.1° | 95.0° |
| C51 | C53 | C54 | C55 | 39.3° | 85.3° |
| C53 | C51 | N13 | C46 | 112.4° | 85.0° |
| C53 | C51 | C52 | N16 | 79.0° | 60.1° |
| H77 | C51 | C52 | O10 | 11.6° | 120.0° |
| H77 | C51 | C53 | C54 | 46.9° | 55.0° |
| H77 | C51 | C53 | H78 | 71.9° | 175.0° |
| H77 | C51 | C53 | H79 | 165.7° | 65.0° |
| H77 | C51 | N13 | C46 | 2.9° | 35.0° |
| H77 | C51 | C52 | N16 | 172.8° | 59.9° |
| O10 | C52 | N16 | C57 | 3.8° | 0.0° |
| O10 | C52 | N16 | H84 | 176.1° | 180.0° |
| C54 | C53 | H78 | H79 | 123.4° | 120.0° |
| C53 | C54 | N14 | C55 | 178.6° | 179.7° |
| C53 | C54 | N14 | C56 | 179.4° | 179.9° |
| C53 | C54 | N14 | H80 | 0.6° | 0.0° |
| C53 | C54 | C55 | N15 | 179.3° | 180.0° |
| C53 | C54 | C55 | H81 | 0.8° | 0.1° |
| H78 | C53 | C54 | N14 | 102.1° | 25.0° |
| H78 | C53 | C54 | C55 | 79.6° | 154.7° |
| H79 | C53 | C54 | N14 | 20.3° | 145.0° |
| H79 | C53 | C54 | C55 | 158.1° | 34.6° |
| C54 | N14 | C56 | H80 | 180.0° | 180.0° |
| N14 | C54 | C55 | N15 | 0.6° | 0.3° |
| N14 | C54 | C55 | H81 | 179.4° | 179.8° |
| C54 | N14 | C56 | N15 | 0.7° | 0.1° |
| C54 | N14 | C56 | H82 | 179.3° | 180.0° |
| C55 | C54 | N14 | C56 | 0.8° | 0.3° |
| C55 | C54 | N14 | H80 | 179.2° | 179.7° |
| C54 | C55 | N15 | H81 | 180.0° | 179.9° |
| C54 | C55 | N15 | C56 | 0.2° | 0.2° |
| C54 | C55 | N15 | H83 | 179.8° | 180.0° |
| N14 | C56 | N15 | C55 | 0.3° | 0.0° |
| N14 | C56 | N15 | H82 | 180.0° | 179.9° |
| N14 | C56 | N15 | H83 | 179.7° | 179.9° |
| H80 | N14 | C56 | N15 | 179.3° | 179.8° |
| H80 | N14 | C56 | H82 | 0.7° | 0.1° |
| C55 | N15 | C56 | H83 | 180.0° | 179.9° |
| C55 | N15 | C56 | H82 | 179.7° | 179.9° |
| H81 | C55 | N15 | C56 | 179.8° | 179.9° |
| H81 | C55 | N15 | H83 | 0.2° | 0.0° |
| H82 | C56 | N15 | H83 | 0.3° | 0.0° |
| C57 | N16 | H84 | C52 | 180.0° | 179.9° |
| N16 | C57 | C58 | C59 | 123.7° | 120.0° |
| N16 | C57 | C58 | H85 | 118.7° | 120.0° |
| N16 | C57 | C59 | H85 | 118.2° | 119.9° |
| N16 | C57 | C58 | O11 | 85.9° | 0.1° |
| N16 | C57 | C58 | O12 | 97.6° | 180.0° |
| N16 | C57 | C59 | C60 | 157.0° | 65.0° |
| N16 | C57 | C59 | H86 | 36.7° | 55.0° |
| N16 | C57 | C59 | H87 | 82.9° | 175.0° |
| H84 | N16 | C57 | C58 | 72.8° | 95.0° |
| H84 | N16 | C57 | C59 | 50.9° | 25.1° |
| H84 | N16 | C57 | H85 | 168.8° | 145.0° |
| C58 | C57 | C59 | H85 | 117.6° | 120.1° |
| C57 | C58 | O11 | O12 | 176.3° | 179.9° |
| C58 | C57 | C59 | C60 | 78.9° | 175.0° |
| C58 | C57 | C59 | H86 | 160.9° | 64.9° |
| C58 | C57 | C59 | H87 | 41.3° | 55.0° |
| C57 | C58 | O12 | H97 | 176.4° | 179.9° |
| C58 | C57 | N16 | C52 | 107.2° | 85.0° |
| C59 | C57 | C58 | O11 | 37.7° | 120.0° |
| C59 | C57 | C58 | O12 | 138.7° | 60.0° |
| C57 | C59 | C60 | H86 | 120.2° | 120.0° |
| C57 | C59 | C60 | H87 | 120.2° | 120.0° |
| C57 | C59 | H86 | H87 | 119.3° | 119.9° |
| C57 | C59 | C60 | C61 | 128.8° | 180.0° |
| C57 | C59 | C60 | H88 | 110.5° | 59.9° |
| C57 | C59 | C60 | H89 | 8.2° | 60.0° |
| C59 | C57 | N16 | C52 | 129.1° | 155.0° |
| H85 | C57 | C58 | O11 | 155.4° | 119.9° |
| H85 | C57 | C58 | O12 | 21.1° | 60.0° |
| H85 | C57 | C59 | C60 | 38.7° | 54.9° |
| H85 | C57 | C59 | H86 | 81.5° | 175.0° |
| H85 | C57 | C59 | H87 | 158.9° | 65.1° |
| H85 | C57 | N16 | C52 | 11.2° | 35.1° |
| O11 | C58 | O12 | H97 | 0.0° | 0.0° |
| C60 | C59 | H86 | H87 | 119.4° | 120.0° |
| C59 | C60 | C61 | H88 | 120.7° | 120.0° |
| C59 | C60 | C61 | H89 | 120.6° | 120.0° |
| C59 | C60 | H88 | H89 | 118.0° | 120.0° |
| C59 | C60 | C61 | C62 | 75.5° | 180.0° |
| C59 | C60 | C61 | H90 | 164.1° | 60.0° |
| C59 | C60 | C61 | H91 | 44.9° | 60.0° |
| H86 | C59 | C60 | C61 | 8.6° | 60.0° |
| H86 | C59 | C60 | H88 | 129.3° | 180.0° |
| H86 | C59 | C60 | H89 | 112.1° | 60.0° |
| H87 | C59 | C60 | C61 | 111.0° | 60.0° |
| H87 | C59 | C60 | H88 | 9.6° | 60.0° |
| H87 | C59 | C60 | H89 | 128.3° | 180.0° |
| C61 | C60 | H88 | H89 | 118.0° | 120.0° |
| C60 | C61 | C62 | H90 | 120.4° | 120.0° |
| C60 | C61 | C62 | H91 | 120.4° | 120.0° |
| C60 | C61 | H90 | H91 | 118.8° | 120.0° |
| C60 | C61 | C62 | N17 | 106.4° | 180.0° |
| C60 | C61 | C62 | H92 | 133.1° | 60.0° |
| C60 | C61 | C62 | H93 | 14.1° | 60.0° |
| H88 | C60 | C61 | C62 | 45.2° | 60.0° |
| H88 | C60 | C61 | H90 | 75.2° | 180.0° |
| H88 | C60 | C61 | H91 | 165.6° | 60.0° |
| H89 | C60 | C61 | C62 | 163.9° | 60.0° |
| H89 | C60 | C61 | H90 | 43.5° | 60.0° |
| H89 | C60 | C61 | H91 | 75.7° | 180.0° |
| C62 | C61 | H90 | H91 | 118.8° | 120.0° |
| C61 | C62 | N17 | H92 | 120.5° | 120.0° |
| C61 | C62 | N17 | H93 | 120.5° | 120.0° |
| C61 | C62 | H92 | H93 | 118.5° | 119.9° |
| C61 | C62 | N17 | H94 | 180.0° | 180.0° |
| C61 | C62 | N17 | H95 | 60.0° | 60.0° |
| C61 | C62 | N17 | H96 | 60.0° | 60.0° |
| H90 | C61 | C62 | N17 | 14.0° | 60.0° |
| H90 | C61 | C62 | H92 | 106.4° | 180.0° |
| H90 | C61 | C62 | H93 | 134.5° | 60.1° |
| H91 | C61 | C62 | N17 | 133.2° | 60.0° |
| H91 | C61 | C62 | H92 | 12.7° | 60.0° |
| H91 | C61 | C62 | H93 | 106.3° | 180.0° |
| N17 | C62 | H92 | H93 | 118.6° | 120.1° |
| C62 | N17 | H94 | H95 | 120.0° | 120.0° |
| C62 | N17 | H94 | H96 | 120.0° | 120.1° |
| C62 | N17 | H95 | H96 | 120.0° | 120.1° |
| H92 | C62 | N17 | H94 | 59.6° | 60.1° |
| H92 | C62 | N17 | H95 | 179.6° | 180.0° |
| H92 | C62 | N17 | H96 | 60.4° | 60.0° |
| H93 | C62 | N17 | H94 | 59.5° | 60.0° |
| H93 | C62 | N17 | H95 | 60.5° | 59.9° |
| H93 | C62 | N17 | H96 | 179.5° | 180.0° |
| H94 | N17 | H95 | H96 | 120.0° | 120.0° |
