PRD_000011
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | O2 | sing | 1.45Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.48Å | 1.44Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | C9 | sing | 1.51Å | 1.51Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C10 | sing | 1.46Å | 1.47Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.54Å | 1.51Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.48Å | 1.46Å | |
| N4 | C17 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O5 | doub | 1.21Å | 1.23Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C18 | sing | 1.47Å | 1.46Å | |
| N5 | C19 | sing | 1.48Å | 1.47Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | C23 | sing | 1.51Å | 1.54Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.24Å | |
| C24 | C25 | sing | 1.47Å | 1.42Å | |
| C24 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C33 | sing | 1.47Å | 1.41Å | Aromatic |
| C25 | O7 | doub | 1.22Å | 1.23Å | |
| C26 | N6 | sing | 1.38Å | 1.33Å | |
| C26 | C27 | sing | 1.47Å | 1.42Å | Aromatic |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C27 | O8 | doub | 1.22Å | 1.24Å | |
| C27 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C34 | doub | 1.37Å | 1.41Å | Aromatic |
| C28 | C37 | sing | 1.51Å | 1.52Å | |
| O9 | C34 | sing | 1.35Å | 1.36Å | Aromatic |
| O9 | C35 | sing | 1.35Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C35 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C38 | sing | 1.51Å | 1.53Å | |
| C30 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| N7 | C31 | sing | 1.32Å | 1.32Å | Aromatic |
| C31 | C32 | sing | 1.48Å | 1.40Å | |
| C31 | C36 | doub | 1.41Å | 1.40Å | Aromatic |
| C32 | O10 | doub | 1.21Å | 1.22Å | |
| N8 | C33 | doub | 1.32Å | 1.31Å | Aromatic |
| N8 | C36 | sing | 1.34Å | 1.32Å | Aromatic |
| C33 | C34 | sing | 1.47Å | 1.44Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.43Å | Aromatic |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| N9 | C39 | sing | 1.47Å | 1.47Å | |
| N9 | H48 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | O11 | doub | 1.21Å | 1.24Å | |
| C41 | O12 | sing | 1.45Å | 1.44Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| N10 | C43 | sing | 1.48Å | 1.45Å | |
| N10 | H54 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C47 | sing | 1.51Å | 1.52Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | C46 | sing | 1.53Å | 1.51Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C45 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H59 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | O13 | doub | 1.21Å | 1.23Å | |
| N11 | C48 | sing | 1.47Å | 1.47Å | |
| N11 | C52 | sing | 1.46Å | 1.46Å | |
| C48 | C49 | sing | 1.51Å | 1.52Å | |
| C48 | C50 | sing | 1.53Å | 1.51Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | O14 | doub | 1.21Å | 1.23Å | |
| C50 | C51 | sing | 1.54Å | 1.50Å | |
| C50 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.50Å | |
| C51 | H66 | sing | 1.09Å | 1.10Å | |
| C51 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| N12 | C53 | sing | 1.48Å | 1.44Å | |
| N12 | C55 | sing | 1.47Å | 1.45Å | |
| C53 | C54 | sing | 1.51Å | 1.53Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | O15 | doub | 1.21Å | 1.23Å | |
| C55 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | H73 | sing | 1.09Å | 1.10Å | |
| C55 | H74 | sing | 1.09Å | 1.10Å | |
| N13 | C56 | sing | 1.46Å | 1.44Å | |
| N13 | C57 | sing | 1.48Å | 1.45Å | |
| C56 | H75 | sing | 1.09Å | 1.10Å | |
| C56 | H76 | sing | 1.09Å | 1.10Å | |
| C56 | H77 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.56Å | |
| C57 | C61 | sing | 1.51Å | 1.53Å | |
| C57 | H78 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | C60 | sing | 1.53Å | 1.52Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C59 | H80 | sing | 1.09Å | 1.10Å | |
| C59 | H81 | sing | 1.09Å | 1.10Å | |
| C59 | H82 | sing | 1.09Å | 1.10Å | |
| C60 | H83 | sing | 1.09Å | 1.10Å | |
| C60 | H84 | sing | 1.09Å | 1.10Å | |
| C60 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | O16 | doub | 1.21Å | 1.24Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| O2 | C23 | sing | 1.34Å | 1.41Å | |
| N1 | C25 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C11 | N4 | sing | 1.37Å | 1.35Å | |
| C16 | N5 | sing | 1.36Å | 1.34Å | |
| C32 | N9 | sing | 1.35Å | 1.33Å | |
| C40 | N10 | sing | 1.37Å | 1.34Å | |
| O12 | C61 | sing | 1.34Å | 1.39Å | |
| C47 | N11 | sing | 1.35Å | 1.35Å | |
| C49 | N12 | sing | 1.37Å | 1.34Å | |
| C54 | N13 | sing | 1.36Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.8° | 120.0° |
| N1 | C1 | C2 | 107.8° | 109.5° |
| N1 | C1 | C3 | 119.9° | 109.5° |
| N1 | C1 | H2 | 108.0° | 109.5° |
| C1 | N1 | C25 | 118.4° | 120.0° |
| H1 | N1 | C25 | 120.8° | 120.0° |
| C2 | C1 | C3 | 105.8° | 109.4° |
| C2 | C1 | H2 | 107.7° | 109.5° |
| C1 | C2 | O1 | 124.2° | 120.7° |
| C1 | C2 | N2 | 105.3° | 118.6° |
| C3 | C1 | H2 | 107.1° | 109.5° |
| C1 | C3 | O2 | 109.3° | 109.5° |
| C1 | C3 | C4 | 110.6° | 109.4° |
| C1 | C3 | H3 | 108.2° | 109.5° |
| O1 | C2 | N2 | 130.1° | 120.7° |
| O2 | C3 | C4 | 111.2° | 109.5° |
| O2 | C3 | H3 | 109.3° | 109.5° |
| C3 | O2 | C23 | 120.1° | 116.9° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H4 | C4 | H6 | 109.4° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C5 | N2 | H7 | 119.0° | 122.8° |
| N2 | C5 | C6 | 107.8° | 109.7° |
| N2 | C5 | C9 | 112.9° | 108.2° |
| N2 | C5 | H8 | 108.8° | 109.7° |
| C5 | N2 | C2 | 122.0° | 114.4° |
| H7 | N2 | C2 | 119.0° | 122.8° |
| C6 | C5 | C9 | 111.8° | 109.8° |
| C6 | C5 | H8 | 107.4° | 109.7° |
| C5 | C6 | C7 | 117.8° | 109.5° |
| C5 | C6 | C8 | 112.6° | 109.5° |
| C5 | C6 | H9 | 104.7° | 109.5° |
| C9 | C5 | H8 | 107.9° | 109.8° |
| C5 | C9 | O3 | 116.3° | 119.9° |
| C5 | C9 | N3 | 122.5° | 120.1° |
| C7 | C6 | C8 | 110.5° | 109.4° |
| C7 | C6 | H9 | 104.9° | 109.4° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C8 | C6 | H9 | 104.9° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.4° |
| C6 | C8 | H14 | 109.4° | 109.5° |
| C6 | C8 | H15 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| O3 | C9 | N3 | 121.2° | 120.0° |
| C10 | N3 | C14 | 110.2° | 109.0° |
| N3 | C10 | C11 | 114.7° | 109.7° |
| N3 | C10 | C12 | 104.3° | 107.8° |
| N3 | C10 | H16 | 109.9° | 109.8° |
| C10 | N3 | C9 | 125.7° | 125.3° |
| N3 | C14 | C13 | 102.3° | 107.7° |
| N3 | C14 | H21 | 111.2° | 109.8° |
| N3 | C14 | H22 | 111.3° | 109.8° |
| C14 | N3 | C9 | 122.6° | 125.7° |
| C11 | C10 | C12 | 109.8° | 109.9° |
| C11 | C10 | H16 | 109.0° | 109.7° |
| C10 | C11 | O4 | 117.4° | 120.8° |
| C10 | C11 | N4 | 121.9° | 118.5° |
| C12 | C10 | H16 | 108.9° | 109.9° |
| C10 | C12 | C13 | 105.4° | 106.1° |
| C10 | C12 | H17 | 110.5° | 110.1° |
| C10 | C12 | H18 | 110.5° | 110.2° |
| O4 | C11 | N4 | 120.6° | 120.7° |
| C13 | C12 | H17 | 110.5° | 110.2° |
| C13 | C12 | H18 | 110.5° | 110.1° |
| C12 | C13 | C14 | 103.5° | 106.0° |
| C12 | C13 | H19 | 110.9° | 110.2° |
| C12 | C13 | H20 | 110.9° | 110.2° |
| H17 | C12 | H18 | 109.4° | 110.1° |
| C14 | C13 | H19 | 110.9° | 110.1° |
| C14 | C13 | H20 | 110.9° | 110.1° |
| C13 | C14 | H21 | 111.3° | 109.8° |
| C13 | C14 | H22 | 111.2° | 109.8° |
| H19 | C13 | H20 | 109.5° | 110.2° |
| H21 | C14 | H22 | 109.5° | 109.8° |
| C15 | N4 | C17 | 116.1° | 122.7° |
| N4 | C15 | C16 | 115.7° | 108.3° |
| N4 | C15 | H23 | 107.9° | 109.7° |
| N4 | C15 | H24 | 107.9° | 109.7° |
| C15 | N4 | C11 | 125.5° | 114.5° |
| N4 | C17 | H25 | 109.5° | 109.5° |
| N4 | C17 | H26 | 109.5° | 109.5° |
| N4 | C17 | H27 | 109.5° | 109.4° |
| C17 | N4 | C11 | 117.6° | 122.7° |
| C16 | C15 | H23 | 107.9° | 109.7° |
| C16 | C15 | H24 | 107.9° | 109.7° |
| C15 | C16 | O5 | 119.8° | 120.5° |
| C15 | C16 | N5 | 120.8° | 119.1° |
| H23 | C15 | H24 | 109.5° | 109.7° |
| O5 | C16 | N5 | 119.3° | 120.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| C18 | N5 | C19 | 112.9° | 122.0° |
| N5 | C18 | H28 | 109.5° | 109.5° |
| N5 | C18 | H29 | 109.5° | 109.5° |
| N5 | C18 | H30 | 109.5° | 109.4° |
| C18 | N5 | C16 | 117.2° | 122.0° |
| N5 | C19 | C20 | 110.5° | 109.6° |
| N5 | C19 | C23 | 115.3° | 108.8° |
| N5 | C19 | H31 | 105.1° | 109.6° |
| C19 | N5 | C16 | 128.1° | 116.0° |
| H28 | C18 | H29 | 109.4° | 109.5° |
| H28 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| C20 | C19 | C23 | 116.1° | 109.6° |
| C20 | C19 | H31 | 104.0° | 109.6° |
| C19 | C20 | C21 | 113.8° | 109.5° |
| C19 | C20 | C22 | 114.8° | 109.4° |
| C19 | C20 | H32 | 105.8° | 109.4° |
| C23 | C19 | H31 | 104.4° | 109.6° |
| C19 | C23 | O6 | 118.1° | 119.9° |
| C19 | C23 | O2 | 117.5° | 120.1° |
| C21 | C20 | C22 | 108.9° | 109.5° |
| C21 | C20 | H32 | 106.5° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 109.5° | 109.4° |
| C22 | C20 | H32 | 106.4° | 109.5° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.5° | 109.4° |
| C20 | C22 | H38 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H35 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H36 | C22 | H37 | 109.5° | 109.4° |
| H36 | C22 | H38 | 109.4° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| O6 | C23 | O2 | 118.0° | 120.0° |
| C25 | C24 | C26 | 119.4° | 120.5° |
| C25 | C24 | C33 | 122.4° | 120.5° |
| C24 | C25 | O7 | 118.4° | 120.0° |
| C24 | C25 | N1 | 124.2° | 120.0° |
| C26 | C24 | C33 | 118.3° | 118.9° |
| C24 | C26 | N6 | 120.1° | 120.1° |
| C24 | C26 | C27 | 121.5° | 119.9° |
| C24 | C33 | N8 | 120.4° | 120.7° |
| C24 | C33 | C34 | 120.7° | 119.4° |
| O7 | C25 | N1 | 117.4° | 120.0° |
| N6 | C26 | C27 | 118.4° | 120.1° |
| C26 | N6 | H39 | 109.5° | 120.0° |
| C26 | N6 | H40 | 109.5° | 120.0° |
| C26 | C27 | O8 | 119.7° | 119.6° |
| C26 | C27 | C28 | 120.3° | 120.9° |
| H39 | N6 | H40 | 109.4° | 120.0° |
| O8 | C27 | C28 | 120.0° | 119.6° |
| C27 | C28 | C34 | 119.2° | 120.8° |
| C27 | C28 | C37 | 120.1° | 119.6° |
| C34 | C28 | C37 | 120.7° | 119.6° |
| C28 | C34 | O9 | 120.4° | 120.7° |
| C28 | C34 | C33 | 120.1° | 120.1° |
| C28 | C37 | H42 | 109.5° | 109.5° |
| C28 | C37 | H43 | 109.5° | 109.5° |
| C28 | C37 | H44 | 109.5° | 109.5° |
| C34 | O9 | C35 | 120.4° | 119.2° |
| O9 | C34 | C33 | 119.5° | 119.2° |
| O9 | C35 | C29 | 123.4° | 120.9° |
| O9 | C35 | C36 | 117.9° | 120.7° |
| C30 | C29 | C35 | 117.5° | 119.2° |
| C30 | C29 | C38 | 118.6° | 120.4° |
| C29 | C30 | N7 | 120.8° | 121.5° |
| C29 | C30 | H41 | 119.6° | 119.3° |
| C35 | C29 | C38 | 124.0° | 120.4° |
| C29 | C35 | C36 | 118.7° | 118.4° |
| C29 | C38 | H45 | 109.5° | 109.5° |
| C29 | C38 | H46 | 109.4° | 109.5° |
| C29 | C38 | H47 | 109.5° | 109.5° |
| N7 | C30 | H41 | 119.6° | 119.2° |
| C30 | N7 | C31 | 124.3° | 122.3° |
| N7 | C31 | C32 | 121.7° | 120.0° |
| N7 | C31 | C36 | 119.9° | 120.0° |
| C32 | C31 | C36 | 118.4° | 120.0° |
| C31 | C32 | O10 | 118.5° | 120.0° |
| C31 | C32 | N9 | 120.3° | 120.0° |
| C31 | C36 | N8 | 120.2° | 120.6° |
| C31 | C36 | C35 | 118.8° | 118.6° |
| O10 | C32 | N9 | 121.2° | 120.0° |
| C33 | N8 | C36 | 122.3° | 120.2° |
| N8 | C33 | C34 | 118.9° | 119.9° |
| N8 | C36 | C35 | 121.0° | 120.8° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H44 | 109.5° | 109.4° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H45 | C38 | H46 | 109.5° | 109.4° |
| H45 | C38 | H47 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.5° | 109.5° |
| C39 | N9 | H48 | 120.6° | 120.0° |
| N9 | C39 | C40 | 113.1° | 109.5° |
| N9 | C39 | C41 | 115.3° | 109.5° |
| N9 | C39 | H49 | 108.3° | 109.5° |
| C39 | N9 | C32 | 118.8° | 120.0° |
| H48 | N9 | C32 | 120.6° | 120.0° |
| C40 | C39 | C41 | 104.3° | 109.4° |
| C40 | C39 | H49 | 107.8° | 109.5° |
| C39 | C40 | O11 | 120.5° | 120.7° |
| C39 | C40 | N10 | 114.8° | 118.6° |
| C41 | C39 | H49 | 107.6° | 109.5° |
| C39 | C41 | O12 | 106.3° | 109.6° |
| C39 | C41 | C42 | 113.2° | 109.5° |
| C39 | C41 | H50 | 107.4° | 109.5° |
| O11 | C40 | N10 | 124.7° | 120.7° |
| O12 | C41 | C42 | 113.7° | 109.4° |
| O12 | C41 | H50 | 108.4° | 109.5° |
| C41 | O12 | C61 | 117.4° | 117.0° |
| C42 | C41 | H50 | 107.5° | 109.4° |
| C41 | C42 | H51 | 109.5° | 109.5° |
| C41 | C42 | H52 | 109.4° | 109.5° |
| C41 | C42 | H53 | 109.4° | 109.5° |
| H51 | C42 | H52 | 109.5° | 109.5° |
| H51 | C42 | H53 | 109.5° | 109.5° |
| H52 | C42 | H53 | 109.5° | 109.4° |
| C43 | N10 | H54 | 121.1° | 122.8° |
| N10 | C43 | C44 | 111.6° | 109.7° |
| N10 | C43 | C47 | 110.4° | 108.2° |
| N10 | C43 | H55 | 108.3° | 109.7° |
| C43 | N10 | C40 | 117.8° | 114.3° |
| H54 | N10 | C40 | 121.1° | 122.8° |
| C44 | C43 | C47 | 111.6° | 109.7° |
| C44 | C43 | H55 | 107.3° | 109.7° |
| C43 | C44 | C45 | 112.6° | 109.5° |
| C43 | C44 | C46 | 109.2° | 109.5° |
| C43 | C44 | H56 | 108.2° | 109.5° |
| C47 | C43 | H55 | 107.3° | 109.7° |
| C43 | C47 | O13 | 116.6° | 119.9° |
| C43 | C47 | N11 | 123.3° | 120.2° |
| C45 | C44 | C46 | 110.3° | 109.5° |
| C45 | C44 | H56 | 108.2° | 109.5° |
| C44 | C45 | H57 | 109.5° | 109.4° |
| C44 | C45 | H58 | 109.5° | 109.4° |
| C44 | C45 | H59 | 109.5° | 109.4° |
| C46 | C44 | H56 | 108.3° | 109.4° |
| C44 | C46 | H60 | 109.5° | 109.5° |
| C44 | C46 | H61 | 109.5° | 109.5° |
| C44 | C46 | H62 | 109.5° | 109.5° |
| H57 | C45 | H58 | 109.5° | 109.5° |
| H57 | C45 | H59 | 109.4° | 109.5° |
| H58 | C45 | H59 | 109.5° | 109.5° |
| H60 | C46 | H61 | 109.5° | 109.5° |
| H60 | C46 | H62 | 109.4° | 109.4° |
| H61 | C46 | H62 | 109.5° | 109.5° |
| O13 | C47 | N11 | 120.0° | 120.0° |
| C48 | N11 | C52 | 110.5° | 109.0° |
| N11 | C48 | C49 | 114.5° | 109.6° |
| N11 | C48 | C50 | 101.4° | 107.8° |
| N11 | C48 | H63 | 110.1° | 109.8° |
| C48 | N11 | C47 | 126.1° | 125.3° |
| N11 | C52 | C51 | 103.4° | 107.7° |
| N11 | C52 | H68 | 111.0° | 109.9° |
| N11 | C52 | H69 | 111.0° | 109.8° |
| C52 | N11 | C47 | 123.3° | 125.7° |
| C49 | C48 | C50 | 111.5° | 109.9° |
| C49 | C48 | H63 | 109.4° | 109.8° |
| C48 | C49 | O14 | 116.2° | 120.8° |
| C48 | C49 | N12 | 123.7° | 118.4° |
| C50 | C48 | H63 | 109.6° | 109.9° |
| C48 | C50 | C51 | 105.8° | 106.2° |
| C48 | C50 | H64 | 110.4° | 110.1° |
| C48 | C50 | H65 | 110.4° | 110.1° |
| O14 | C49 | N12 | 120.1° | 120.8° |
| C51 | C50 | H64 | 110.4° | 110.1° |
| C51 | C50 | H65 | 110.4° | 110.2° |
| C50 | C51 | C52 | 99.3° | 106.0° |
| C50 | C51 | H66 | 112.0° | 110.2° |
| C50 | C51 | H67 | 111.9° | 110.1° |
| H64 | C50 | H65 | 109.5° | 110.1° |
| C52 | C51 | H66 | 111.9° | 110.2° |
| C52 | C51 | H67 | 112.0° | 110.2° |
| C51 | C52 | H68 | 111.0° | 109.8° |
| C51 | C52 | H69 | 111.0° | 109.8° |
| H66 | C51 | H67 | 109.5° | 110.2° |
| H68 | C52 | H69 | 109.5° | 109.8° |
| C53 | N12 | C55 | 112.1° | 122.8° |
| N12 | C53 | C54 | 113.0° | 108.3° |
| N12 | C53 | H70 | 108.6° | 109.7° |
| N12 | C53 | H71 | 108.6° | 109.7° |
| C53 | N12 | C49 | 129.4° | 114.4° |
| N12 | C55 | H72 | 109.5° | 109.5° |
| N12 | C55 | H73 | 109.5° | 109.4° |
| N12 | C55 | H74 | 109.5° | 109.5° |
| C55 | N12 | C49 | 118.0° | 122.8° |
| C54 | C53 | H70 | 108.6° | 109.7° |
| C54 | C53 | H71 | 108.6° | 109.7° |
| C53 | C54 | O15 | 119.7° | 120.5° |
| C53 | C54 | N13 | 121.0° | 119.1° |
| H70 | C53 | H71 | 109.5° | 109.7° |
| O15 | C54 | N13 | 119.3° | 120.4° |
| H72 | C55 | H73 | 109.5° | 109.5° |
| H72 | C55 | H74 | 109.5° | 109.5° |
| H73 | C55 | H74 | 109.5° | 109.5° |
| C56 | N13 | C57 | 110.0° | 121.9° |
| N13 | C56 | H75 | 109.5° | 109.5° |
| N13 | C56 | H76 | 109.4° | 109.5° |
| N13 | C56 | H77 | 109.5° | 109.4° |
| C56 | N13 | C54 | 119.3° | 122.0° |
| N13 | C57 | C58 | 113.7° | 109.6° |
| N13 | C57 | C61 | 107.8° | 108.9° |
| N13 | C57 | H78 | 107.3° | 109.5° |
| C57 | N13 | C54 | 129.3° | 116.1° |
| H75 | C56 | H76 | 109.5° | 109.5° |
| H75 | C56 | H77 | 109.4° | 109.4° |
| H76 | C56 | H77 | 109.5° | 109.5° |
| C58 | C57 | C61 | 115.2° | 109.7° |
| C58 | C57 | H78 | 106.0° | 109.5° |
| C57 | C58 | C59 | 109.8° | 109.5° |
| C57 | C58 | C60 | 112.0° | 109.5° |
| C57 | C58 | H79 | 109.2° | 109.4° |
| C61 | C57 | H78 | 106.4° | 109.6° |
| C57 | C61 | O16 | 121.2° | 119.9° |
| C57 | C61 | O12 | 115.4° | 120.2° |
| C59 | C58 | C60 | 106.4° | 109.5° |
| C59 | C58 | H79 | 109.7° | 109.5° |
| C58 | C59 | H80 | 109.5° | 109.5° |
| C58 | C59 | H81 | 109.5° | 109.5° |
| C58 | C59 | H82 | 109.5° | 109.5° |
| C60 | C58 | H79 | 109.7° | 109.5° |
| C58 | C60 | H83 | 109.5° | 109.5° |
| C58 | C60 | H84 | 109.5° | 109.5° |
| C58 | C60 | H85 | 109.4° | 109.5° |
| H80 | C59 | H81 | 109.5° | 109.4° |
| H80 | C59 | H82 | 109.4° | 109.5° |
| H81 | C59 | H82 | 109.5° | 109.5° |
| H83 | C60 | H84 | 109.4° | 109.4° |
| H83 | C60 | H85 | 109.5° | 109.5° |
| H84 | C60 | H85 | 109.5° | 109.5° |
| O16 | C61 | O12 | 120.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C25 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 129.4° | 120.0° |
| N1 | C1 | C2 | H2 | 116.3° | 120.0° |
| N1 | C1 | C3 | H2 | 123.4° | 120.0° |
| N1 | C1 | C2 | O1 | 46.9° | 114.3° |
| N1 | C1 | C3 | O2 | 64.3° | 59.7° |
| N1 | C1 | C3 | C4 | 58.4° | 60.3° |
| N1 | C1 | C3 | H3 | 176.8° | 179.7° |
| C1 | N1 | C25 | C24 | 168.0° | 174.0° |
| C1 | N1 | C25 | O7 | 11.9° | 6.0° |
| N1 | C1 | C2 | N2 | 127.0° | 65.6° |
| H1 | N1 | C1 | C2 | 39.7° | 82.9° |
| H1 | N1 | C1 | C3 | 81.3° | 37.0° |
| H1 | N1 | C1 | H2 | 155.8° | 157.0° |
| H1 | N1 | C25 | C24 | 12.0° | 6.2° |
| H1 | N1 | C25 | O7 | 168.1° | 173.8° |
| C2 | C1 | C3 | H2 | 114.7° | 120.0° |
| C1 | C2 | O1 | N2 | 172.3° | 180.0° |
| C2 | C1 | C3 | O2 | 57.6° | 60.3° |
| C2 | C1 | C3 | C4 | 179.6° | 179.7° |
| C2 | C1 | C3 | H3 | 61.2° | 59.7° |
| C1 | C2 | N2 | C5 | 158.9° | 179.5° |
| C1 | C2 | N2 | H7 | 21.1° | 0.5° |
| C2 | C1 | N1 | C25 | 140.4° | 96.8° |
| C3 | C1 | C2 | O1 | 82.5° | 5.6° |
| C1 | C3 | O2 | C4 | 122.4° | 120.0° |
| C1 | C3 | O2 | H3 | 118.2° | 120.0° |
| C1 | C3 | C4 | H3 | 118.3° | 120.0° |
| C1 | C3 | C4 | H4 | 180.0° | 60.0° |
| C1 | C3 | C4 | H5 | 60.0° | 180.0° |
| C1 | C3 | C4 | H6 | 60.0° | 60.0° |
| C3 | C1 | C2 | N2 | 103.6° | 174.4° |
| C1 | C3 | O2 | C23 | 161.9° | 176.0° |
| C3 | C1 | N1 | C25 | 98.7° | 143.3° |
| H2 | C1 | C2 | O1 | 163.2° | 125.6° |
| H2 | C1 | C3 | O2 | 172.3° | 179.7° |
| H2 | C1 | C3 | C4 | 65.0° | 59.7° |
| H2 | C1 | C3 | H3 | 53.4° | 60.2° |
| H2 | C1 | C2 | N2 | 10.6° | 54.4° |
| H2 | C1 | N1 | C25 | 24.3° | 23.2° |
| O1 | C2 | N2 | C5 | 27.7° | 0.5° |
| O1 | C2 | N2 | H7 | 152.3° | 179.6° |
| O2 | C3 | C4 | H3 | 120.0° | 120.0° |
| O2 | C3 | C4 | H4 | 58.4° | 60.0° |
| O2 | C3 | C4 | H5 | 178.4° | 60.0° |
| O2 | C3 | C4 | H6 | 61.6° | 180.0° |
| C3 | O2 | C23 | C19 | 149.4° | 180.0° |
| C3 | O2 | C23 | O6 | 59.2° | 0.1° |
| C3 | C4 | H4 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H6 | 120.0° | 119.9° |
| C4 | C3 | O2 | C23 | 75.7° | 64.0° |
| H3 | C3 | C4 | H4 | 61.7° | NaN° |
| H3 | C3 | C4 | H5 | 58.3° | 60.0° |
| H3 | C3 | C4 | H6 | 178.4° | 60.0° |
| H3 | C3 | O2 | C23 | 43.7° | 56.0° |
| H4 | C4 | H5 | H6 | 119.9° | 120.1° |
| C5 | N2 | H7 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | C9 | 124.7° | 118.8° |
| N2 | C5 | C6 | H8 | 117.1° | 120.5° |
| N2 | C5 | C9 | H8 | 120.3° | 119.6° |
| N2 | C5 | C6 | C7 | 141.5° | 62.1° |
| N2 | C5 | C6 | C8 | 88.0° | 57.9° |
| N2 | C5 | C6 | H9 | 25.4° | 177.9° |
| N2 | C5 | C9 | O3 | 45.6° | 13.5° |
| N2 | C5 | C9 | N3 | 134.8° | 166.4° |
| H7 | N2 | C5 | C6 | 40.3° | 14.7° |
| H7 | N2 | C5 | C9 | 83.7° | 134.5° |
| H7 | N2 | C5 | H8 | 156.5° | 105.8° |
| C6 | C5 | C9 | H8 | 117.9° | 120.6° |
| C5 | C6 | C7 | C8 | 131.4° | 120.0° |
| C5 | C6 | C7 | H9 | 116.0° | 120.0° |
| C5 | C6 | C8 | H9 | 113.3° | 120.1° |
| C5 | C6 | C7 | H10 | 180.0° | 60.0° |
| C5 | C6 | C7 | H11 | 60.0° | 180.0° |
| C5 | C6 | C7 | H12 | 60.0° | 60.0° |
| C5 | C6 | C8 | H13 | 180.0° | 55.1° |
| C5 | C6 | C8 | H14 | 60.0° | 175.0° |
| C5 | C6 | C8 | H15 | 60.0° | 64.9° |
| C6 | C5 | C9 | O3 | 76.2° | 133.2° |
| C6 | C5 | N2 | C2 | 139.7° | 165.3° |
| C6 | C5 | C9 | N3 | 103.4° | 46.6° |
| C9 | C5 | C6 | C7 | 16.8° | 56.7° |
| C9 | C5 | C6 | C8 | 147.2° | 176.7° |
| C9 | C5 | C6 | H9 | 99.3° | 63.3° |
| C5 | C9 | O3 | N3 | 179.6° | 179.9° |
| C5 | C9 | N3 | C10 | 11.2° | 179.6° |
| C5 | C9 | N3 | C14 | 153.4° | 0.6° |
| C9 | C5 | N2 | C2 | 96.3° | 45.5° |
| H8 | C5 | C6 | C7 | 101.4° | 177.4° |
| H8 | C5 | C6 | C8 | 29.0° | 62.7° |
| H8 | C5 | C6 | H9 | 142.5° | 57.4° |
| H8 | C5 | C9 | O3 | 165.9° | 106.2° |
| H8 | C5 | N2 | C2 | 23.5° | 74.2° |
| H8 | C5 | C9 | N3 | 14.6° | 74.0° |
| C7 | C6 | C8 | H9 | 112.6° | 119.9° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | C8 | H13 | 46.0° | 175.0° |
| C7 | C6 | C8 | H14 | 166.0° | 65.0° |
| C7 | C6 | C8 | H15 | 74.1° | 55.0° |
| C8 | C6 | C7 | H10 | 48.6° | 60.0° |
| C8 | C6 | C7 | H11 | 71.4° | 60.0° |
| C8 | C6 | C7 | H12 | 168.6° | 180.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H15 | 120.0° | 120.0° |
| C6 | C8 | H14 | H15 | 120.0° | 120.1° |
| H9 | C6 | C7 | H10 | 64.0° | 179.9° |
| H9 | C6 | C7 | H11 | 176.0° | 60.0° |
| H9 | C6 | C7 | H12 | 56.0° | 60.1° |
| H9 | C6 | C8 | H13 | 66.7° | 65.0° |
| H9 | C6 | C8 | H14 | 53.3° | 54.9° |
| H9 | C6 | C8 | H15 | 173.3° | 175.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| O3 | C9 | N3 | C10 | 169.2° | 0.3° |
| O3 | C9 | N3 | C14 | 26.1° | 179.5° |
| C10 | N3 | C14 | C9 | 166.8° | 179.9° |
| N3 | C10 | C11 | C12 | 117.1° | 118.4° |
| N3 | C10 | C11 | H16 | 123.7° | 120.7° |
| N3 | C10 | C12 | H16 | 117.3° | 119.6° |
| N3 | C10 | C11 | O4 | 47.1° | 59.6° |
| N3 | C10 | C12 | C13 | 12.4° | 9.3° |
| N3 | C10 | C12 | H17 | 107.0° | 109.9° |
| N3 | C10 | C12 | H18 | 131.7° | 128.5° |
| C10 | N3 | C14 | C13 | 31.3° | 18.8° |
| C10 | N3 | C14 | H21 | 150.1° | 100.7° |
| C10 | N3 | C14 | H22 | 87.6° | 138.4° |
| N3 | C10 | C11 | N4 | 128.9° | 120.4° |
| C14 | N3 | C10 | C11 | 108.0° | 137.2° |
| C14 | N3 | C10 | C12 | 12.2° | 17.6° |
| C14 | N3 | C10 | H16 | 128.8° | 102.1° |
| N3 | C14 | C13 | C12 | 37.7° | 12.5° |
| N3 | C14 | C13 | H21 | 118.8° | 119.6° |
| N3 | C14 | C13 | H22 | 118.9° | 119.6° |
| N3 | C14 | C13 | H19 | 156.7° | 106.7° |
| N3 | C14 | C13 | H20 | 81.3° | 131.6° |
| N3 | C14 | H21 | H22 | 123.3° | 120.9° |
| C11 | C10 | C12 | H16 | 119.3° | 120.9° |
| C10 | C11 | O4 | N4 | 176.0° | 180.0° |
| C11 | C10 | C12 | C13 | 135.8° | 128.8° |
| C11 | C10 | C12 | H17 | 16.4° | 9.6° |
| C11 | C10 | C12 | H18 | 104.8° | 112.0° |
| C10 | C11 | N4 | C15 | 0.4° | 178.7° |
| C10 | C11 | N4 | C17 | 169.0° | 1.2° |
| C11 | C10 | N3 | C9 | 58.2° | 42.6° |
| C12 | C10 | C11 | O4 | 70.0° | 58.7° |
| C10 | C12 | C13 | H17 | 119.4° | 119.2° |
| C10 | C12 | C13 | H18 | 119.4° | 119.2° |
| C10 | C12 | H17 | H18 | 121.9° | 121.6° |
| C10 | C12 | C13 | C14 | 30.9° | 1.9° |
| C10 | C12 | C13 | H19 | 150.0° | 117.2° |
| C10 | C12 | C13 | H20 | 88.1° | 121.0° |
| C12 | C10 | N3 | C9 | 178.4° | 162.3° |
| C12 | C10 | C11 | N4 | 114.0° | 121.3° |
| H16 | C10 | C11 | O4 | 170.8° | 179.7° |
| H16 | C10 | C12 | C13 | 104.9° | 110.4° |
| H16 | C10 | C12 | H17 | 135.7° | 130.4° |
| H16 | C10 | C12 | H18 | 14.4° | 8.9° |
| H16 | C10 | N3 | C9 | 64.9° | 78.0° |
| H16 | C10 | C11 | N4 | 5.2° | 0.3° |
| O4 | C11 | N4 | C15 | 175.5° | 1.3° |
| O4 | C11 | N4 | C17 | 15.2° | 178.7° |
| C13 | C12 | H17 | H18 | 121.9° | 121.6° |
| C12 | C13 | C14 | H19 | 119.0° | 119.1° |
| C12 | C13 | C14 | H20 | 119.0° | 119.1° |
| C12 | C13 | H19 | H20 | 122.8° | 121.8° |
| C12 | C13 | C14 | H21 | 156.5° | 107.1° |
| C12 | C13 | C14 | H22 | 81.2° | 132.0° |
| H17 | C12 | C13 | C14 | 88.4° | 121.1° |
| H17 | C12 | C13 | H19 | 30.6° | 2.0° |
| H17 | C12 | C13 | H20 | 152.5° | 119.8° |
| H18 | C12 | C13 | C14 | 150.3° | 117.3° |
| H18 | C12 | C13 | H19 | 90.6° | 123.6° |
| H18 | C12 | C13 | H20 | 31.3° | 1.8° |
| C14 | C13 | H19 | H20 | 122.8° | 121.7° |
| C13 | C14 | H21 | H22 | 123.3° | 120.9° |
| C13 | C14 | N3 | C9 | 162.0° | 161.0° |
| H19 | C13 | C14 | H21 | 84.5° | 133.8° |
| H19 | C13 | C14 | H22 | 37.9° | 12.9° |
| H20 | C13 | C14 | H21 | 37.5° | 12.0° |
| H20 | C13 | C14 | H22 | 159.8° | 108.8° |
| H21 | C14 | N3 | C9 | 43.1° | 79.4° |
| H22 | C14 | N3 | C9 | 79.2° | 41.5° |
| C15 | N4 | C17 | C11 | 170.3° | 179.9° |
| N4 | C15 | C16 | H23 | 120.9° | 119.7° |
| N4 | C15 | C16 | H24 | 120.9° | 119.7° |
| N4 | C15 | H23 | H24 | 117.2° | 120.5° |
| N4 | C15 | C16 | O5 | 6.3° | 45.3° |
| C15 | N4 | C17 | H25 | 180.0° | 115.7° |
| C15 | N4 | C17 | H26 | 60.0° | 4.3° |
| C15 | N4 | C17 | H27 | 60.0° | 124.3° |
| N4 | C15 | C16 | N5 | 174.8° | 134.8° |
| C17 | N4 | C15 | C16 | 65.9° | 61.0° |
| C17 | N4 | C15 | H23 | 173.2° | 58.7° |
| C17 | N4 | C15 | H24 | 55.0° | 179.3° |
| N4 | C17 | H25 | H26 | 120.0° | 120.1° |
| N4 | C17 | H25 | H27 | 120.0° | 119.9° |
| N4 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C15 | H23 | H24 | 117.1° | 120.6° |
| C15 | C16 | O5 | N5 | 178.9° | 179.9° |
| C15 | C16 | N5 | C18 | 22.4° | 2.4° |
| C15 | C16 | N5 | C19 | 174.4° | 177.6° |
| C16 | C15 | N4 | C11 | 124.7° | 118.9° |
| H23 | C15 | C16 | O5 | 114.6° | 74.4° |
| H23 | C15 | N4 | C11 | 3.7° | 121.3° |
| H23 | C15 | C16 | N5 | 64.3° | 105.5° |
| H24 | C15 | C16 | O5 | 127.2° | 165.0° |
| H24 | C15 | N4 | C11 | 114.4° | 0.8° |
| H24 | C15 | C16 | N5 | 53.9° | 15.1° |
| O5 | C16 | N5 | C18 | 156.5° | 177.6° |
| O5 | C16 | N5 | C19 | 6.7° | 2.5° |
| H25 | C17 | H26 | H27 | 120.0° | 120.0° |
| H25 | C17 | N4 | C11 | 9.7° | 64.3° |
| H26 | C17 | N4 | C11 | 129.6° | 175.6° |
| H27 | C17 | N4 | C11 | 110.3° | 55.6° |
| C18 | N5 | C19 | C16 | 163.9° | 179.9° |
| N5 | C18 | H28 | H29 | 120.0° | 120.0° |
| N5 | C18 | H28 | H30 | 120.0° | 120.0° |
| N5 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | N5 | C19 | C20 | 109.3° | 53.6° |
| C18 | N5 | C19 | C23 | 116.7° | 66.3° |
| C18 | N5 | C19 | H31 | 2.3° | 173.8° |
| C19 | N5 | C18 | H28 | 180.0° | 115.0° |
| C19 | N5 | C18 | H29 | 60.0° | 5.0° |
| C19 | N5 | C18 | H30 | 60.0° | 125.0° |
| N5 | C19 | C20 | C23 | 133.7° | 119.4° |
| N5 | C19 | C20 | H31 | 112.3° | 120.3° |
| N5 | C19 | C23 | H31 | 114.7° | 119.9° |
| N5 | C19 | C20 | C21 | 79.9° | 174.6° |
| N5 | C19 | C20 | C22 | 153.6° | 54.6° |
| N5 | C19 | C20 | H32 | 36.7° | 65.3° |
| N5 | C19 | C23 | O6 | 161.4° | 107.1° |
| N5 | C19 | C23 | O2 | 47.2° | 72.8° |
| H28 | C18 | H29 | H30 | 119.9° | 120.0° |
| H28 | C18 | N5 | C16 | 14.2° | 64.9° |
| H29 | C18 | N5 | C16 | 134.2° | 175.1° |
| H30 | C18 | N5 | C16 | 105.8° | 55.1° |
| C20 | C19 | C23 | H31 | 113.8° | 120.3° |
| C19 | C20 | C21 | C22 | 129.5° | 120.0° |
| C19 | C20 | C21 | H32 | 116.1° | 120.0° |
| C19 | C20 | C22 | H32 | 116.6° | 119.9° |
| C19 | C20 | C21 | H33 | 180.0° | 64.9° |
| C19 | C20 | C21 | H34 | 60.0° | 175.1° |
| C19 | C20 | C21 | H35 | 60.0° | 55.1° |
| C19 | C20 | C22 | H36 | 180.0° | 65.1° |
| C19 | C20 | C22 | H37 | 60.0° | 175.0° |
| C19 | C20 | C22 | H38 | 60.0° | 54.9° |
| C20 | C19 | C23 | O6 | 29.9° | 12.7° |
| C20 | C19 | C23 | O2 | 178.7° | 167.4° |
| C20 | C19 | N5 | C16 | 86.9° | 126.5° |
| C23 | C19 | C20 | C21 | 53.8° | 66.0° |
| C23 | C19 | C20 | C22 | 72.7° | 174.0° |
| C23 | C19 | C20 | H32 | 170.4° | 54.0° |
| C19 | C23 | O6 | O2 | 151.3° | 179.9° |
| C23 | C19 | N5 | C16 | 47.2° | 113.6° |
| H31 | C19 | C20 | C21 | 167.8° | 54.3° |
| H31 | C19 | C20 | C22 | 41.3° | 65.7° |
| H31 | C19 | C20 | H32 | 75.6° | 174.4° |
| H31 | C19 | C23 | O6 | 83.9° | 133.0° |
| H31 | C19 | C23 | O2 | 67.5° | 47.1° |
| H31 | C19 | N5 | C16 | 161.5° | 6.2° |
| C21 | C20 | C22 | H32 | 114.5° | 120.0° |
| C20 | C21 | H33 | H34 | 120.0° | 120.0° |
| C20 | C21 | H33 | H35 | 120.0° | 120.0° |
| C20 | C21 | H34 | H35 | 120.0° | 119.9° |
| C21 | C20 | C22 | H36 | 51.1° | 174.9° |
| C21 | C20 | C22 | H37 | 68.9° | 55.0° |
| C21 | C20 | C22 | H38 | 171.1° | 65.1° |
| C22 | C20 | C21 | H33 | 50.5° | 55.1° |
| C22 | C20 | C21 | H34 | 170.5° | 64.9° |
| C22 | C20 | C21 | H35 | 69.5° | 175.1° |
| C20 | C22 | H36 | H37 | 120.0° | 119.9° |
| C20 | C22 | H36 | H38 | 120.0° | 120.0° |
| C20 | C22 | H37 | H38 | 120.0° | 120.0° |
| H32 | C20 | C21 | H33 | 63.9° | 175.2° |
| H32 | C20 | C21 | H34 | 56.1° | 55.1° |
| H32 | C20 | C21 | H35 | 176.1° | 64.8° |
| H32 | C20 | C22 | H36 | 63.4° | 54.9° |
| H32 | C20 | C22 | H37 | 176.6° | 65.1° |
| H32 | C20 | C22 | H38 | 56.6° | 174.9° |
| H33 | C21 | H34 | H35 | 120.0° | 120.0° |
| H36 | C22 | H37 | H38 | 120.0° | 120.1° |
| C25 | C24 | C26 | C33 | 179.1° | 179.7° |
| C24 | C25 | O7 | N1 | 179.9° | 180.0° |
| C25 | C24 | C26 | N6 | 0.6° | 0.1° |
| C25 | C24 | C26 | C27 | 179.2° | 180.0° |
| C25 | C24 | C33 | N8 | 0.1° | 0.1° |
| C25 | C24 | C33 | C34 | 179.6° | 179.8° |
| C26 | C24 | C25 | O7 | 89.1° | 158.7° |
| C24 | C26 | N6 | C27 | 179.8° | 180.0° |
| C24 | C26 | N6 | H39 | 180.0° | 15.2° |
| C24 | C26 | N6 | H40 | 60.0° | 164.9° |
| C24 | C26 | C27 | O8 | 179.4° | 180.0° |
| C24 | C26 | C27 | C28 | 0.2° | 0.1° |
| C26 | C24 | C33 | N8 | 178.9° | 179.7° |
| C26 | C24 | C33 | C34 | 0.5° | 0.5° |
| C26 | C24 | C25 | N1 | 90.9° | 21.3° |
| C33 | C24 | C25 | O7 | 90.0° | 20.9° |
| C33 | C24 | C26 | N6 | 179.7° | 179.7° |
| C33 | C24 | C26 | C27 | 0.1° | 0.3° |
| C24 | C33 | C34 | C28 | 0.5° | 0.5° |
| C24 | C33 | C34 | O9 | 179.7° | 179.7° |
| C24 | C33 | N8 | C34 | 179.4° | 179.7° |
| C24 | C33 | N8 | C36 | 179.2° | 180.0° |
| C33 | C24 | C25 | N1 | 90.1° | 159.1° |
| C26 | N6 | H39 | H40 | 120.0° | 179.9° |
| N6 | C26 | C27 | O8 | 0.4° | 0.0° |
| N6 | C26 | C27 | C28 | 180.0° | 180.0° |
| C27 | C26 | N6 | H39 | 0.2° | 164.9° |
| C27 | C26 | N6 | H40 | 120.2° | 15.0° |
| C26 | C27 | O8 | C28 | 179.6° | 179.9° |
| C26 | C27 | C28 | C34 | 0.2° | 0.0° |
| C26 | C27 | C28 | C37 | 179.3° | 180.0° |
| O8 | C27 | C28 | C34 | 179.4° | 180.0° |
| O8 | C27 | C28 | C37 | 0.3° | 0.0° |
| C27 | C28 | C34 | C37 | 179.1° | 180.0° |
| C27 | C28 | C34 | O9 | 179.3° | 180.0° |
| C27 | C28 | C34 | C33 | 0.2° | 0.3° |
| C27 | C28 | C37 | H42 | 180.0° | 0.0° |
| C27 | C28 | C37 | H43 | 60.0° | 120.0° |
| C27 | C28 | C37 | H44 | 60.0° | 120.0° |
| C28 | C34 | O9 | C33 | 179.1° | 179.8° |
| C28 | C34 | O9 | C35 | 178.6° | 179.9° |
| C28 | C34 | C33 | N8 | 178.9° | 179.7° |
| C34 | C28 | C37 | H42 | 0.9° | 180.0° |
| C34 | C28 | C37 | H43 | 120.9° | 60.0° |
| C34 | C28 | C37 | H44 | 119.1° | 60.0° |
| C37 | C28 | C34 | O9 | 0.2° | 0.0° |
| C37 | C28 | C34 | C33 | 179.0° | 179.7° |
| C28 | C37 | H42 | H43 | 120.0° | 120.0° |
| C28 | C37 | H42 | H44 | 120.0° | 120.0° |
| C28 | C37 | H43 | H44 | 120.0° | 120.0° |
| C34 | O9 | C35 | C29 | 179.1° | 180.0° |
| O9 | C34 | C33 | N8 | 0.2° | 0.0° |
| C34 | O9 | C35 | C36 | 0.5° | 0.9° |
| O9 | C35 | C29 | C30 | 179.6° | 179.9° |
| O9 | C35 | C29 | C36 | 179.6° | 179.0° |
| O9 | C35 | C29 | C38 | 0.1° | 0.1° |
| O9 | C35 | C36 | C31 | 179.3° | 179.6° |
| O9 | C35 | C36 | N8 | 0.0° | 1.2° |
| C35 | O9 | C34 | C33 | 0.6° | 0.3° |
| C30 | C29 | C35 | C38 | 179.7° | 180.0° |
| C29 | C30 | N7 | H41 | 180.0° | 179.9° |
| C29 | C30 | N7 | C31 | 0.0° | 1.3° |
| C30 | C29 | C35 | C36 | 0.0° | 0.9° |
| C30 | C29 | C38 | H45 | 90.1° | 90.0° |
| C30 | C29 | C38 | H46 | 149.8° | 150.0° |
| C30 | C29 | C38 | H47 | 29.9° | 30.0° |
| C35 | C29 | C30 | N7 | 0.2° | 0.0° |
| C35 | C29 | C30 | H41 | 179.8° | 180.0° |
| C29 | C35 | C36 | C31 | 0.3° | 0.6° |
| C29 | C35 | C36 | N8 | 179.6° | 179.7° |
| C35 | C29 | C38 | H45 | 90.2° | 89.9° |
| C35 | C29 | C38 | H46 | 29.8° | 30.0° |
| C35 | C29 | C38 | H47 | 149.8° | 150.0° |
| C38 | C29 | C30 | N7 | 179.5° | 180.0° |
| C38 | C29 | C30 | H41 | 0.5° | 0.0° |
| C38 | C29 | C35 | C36 | 179.6° | 179.1° |
| C29 | C38 | H45 | H46 | 120.0° | 120.0° |
| C29 | C38 | H45 | H47 | 120.0° | 120.1° |
| C29 | C38 | H46 | H47 | 120.0° | 120.0° |
| C30 | N7 | C31 | C32 | 179.5° | 180.0° |
| C30 | N7 | C31 | C36 | 0.3° | 1.6° |
| H41 | C30 | N7 | C31 | 180.0° | 178.8° |
| N7 | C31 | C32 | C36 | 179.9° | 178.4° |
| N7 | C31 | C32 | O10 | 91.8° | 179.8° |
| N7 | C31 | C36 | N8 | 179.8° | 178.5° |
| N7 | C31 | C36 | C35 | 0.5° | 0.6° |
| N7 | C31 | C32 | N9 | 90.0° | 0.2° |
| C31 | C32 | O10 | N9 | 178.2° | 180.0° |
| C32 | C31 | C36 | N8 | 0.1° | 0.1° |
| C32 | C31 | C36 | C35 | 179.4° | 179.1° |
| C31 | C32 | N9 | C39 | 179.1° | 175.2° |
| C31 | C32 | N9 | H48 | 0.9° | 4.7° |
| C36 | C31 | C32 | O10 | 88.3° | 1.8° |
| C31 | C36 | N8 | C33 | 178.9° | 180.0° |
| C31 | C36 | N8 | C35 | 179.2° | 179.1° |
| C36 | C31 | C32 | N9 | 89.9° | 178.3° |
| O10 | C32 | N9 | C39 | 2.8° | 4.9° |
| O10 | C32 | N9 | H48 | 177.2° | 175.2° |
| C33 | N8 | C36 | C35 | 0.4° | 0.9° |
| C36 | N8 | C33 | C34 | 0.3° | 0.2° |
| H42 | C37 | H43 | H44 | 120.0° | 119.9° |
| H45 | C38 | H46 | H47 | 120.0° | 120.0° |
| C39 | N9 | H48 | C32 | 180.0° | 179.9° |
| N9 | C39 | C40 | C41 | 126.0° | 120.0° |
| N9 | C39 | C40 | H49 | 119.8° | 120.0° |
| N9 | C39 | C41 | H49 | 121.0° | 120.0° |
| N9 | C39 | C40 | O11 | 28.2° | 114.4° |
| N9 | C39 | C41 | O12 | 50.9° | 59.7° |
| N9 | C39 | C41 | C42 | 74.6° | 60.3° |
| N9 | C39 | C41 | H50 | 166.8° | 179.7° |
| N9 | C39 | C40 | N10 | 152.6° | 65.6° |
| H48 | N9 | C39 | C40 | 41.6° | 91.7° |
| H48 | N9 | C39 | C41 | 78.3° | 28.3° |
| H48 | N9 | C39 | H49 | 161.1° | 148.3° |
| C40 | C39 | C41 | H49 | 114.4° | 120.0° |
| C39 | C40 | O11 | N10 | 179.2° | 180.0° |
| C40 | C39 | C41 | O12 | 73.7° | 60.3° |
| C40 | C39 | C41 | C42 | 160.7° | 179.7° |
| C40 | C39 | C41 | H50 | 42.2° | 59.8° |
| C39 | C40 | N10 | C43 | 174.5° | 179.6° |
| C39 | C40 | N10 | H54 | 5.5° | 0.4° |
| C40 | C39 | N9 | C32 | 138.4° | 88.4° |
| C41 | C39 | C40 | O11 | 97.8° | 5.6° |
| C39 | C41 | O12 | C42 | 125.2° | 120.0° |
| C39 | C41 | O12 | H50 | 115.2° | 120.0° |
| C39 | C41 | C42 | H50 | 118.5° | 120.0° |
| C39 | C41 | C42 | H51 | 180.0° | 55.0° |
| C39 | C41 | C42 | H52 | 60.0° | 175.0° |
| C39 | C41 | C42 | H53 | 60.0° | 65.0° |
| C41 | C39 | N9 | C32 | 101.7° | 151.6° |
| C41 | C39 | C40 | N10 | 81.4° | 174.4° |
| C39 | C41 | O12 | C61 | 126.6° | 176.0° |
| H49 | C39 | C40 | O11 | 148.0° | 125.6° |
| H49 | C39 | C41 | O12 | 171.9° | 179.7° |
| H49 | C39 | C41 | C42 | 46.4° | 59.7° |
| H49 | C39 | C41 | H50 | 72.2° | 60.2° |
| H49 | C39 | N9 | C32 | 18.9° | 31.6° |
| H49 | C39 | C40 | N10 | 32.8° | 54.4° |
| O11 | C40 | N10 | C43 | 4.7° | 0.4° |
| O11 | C40 | N10 | H54 | 175.3° | 179.6° |
| O12 | C41 | C42 | H50 | 120.1° | 119.9° |
| O12 | C41 | C42 | H51 | 58.5° | 65.1° |
| O12 | C41 | C42 | H52 | 178.5° | 54.9° |
| O12 | C41 | C42 | H53 | 61.4° | 174.9° |
| C41 | O12 | C61 | C57 | 168.3° | 180.0° |
| C41 | O12 | C61 | O16 | 6.7° | 0.1° |
| C41 | C42 | H51 | H52 | 120.0° | 120.1° |
| C41 | C42 | H51 | H53 | 120.0° | 120.0° |
| C41 | C42 | H52 | H53 | 120.0° | 120.0° |
| C42 | C41 | O12 | C61 | 108.2° | 64.0° |
| H50 | C41 | C42 | H51 | 61.5° | 174.9° |
| H50 | C41 | C42 | H52 | 58.5° | 65.0° |
| H50 | C41 | C42 | H53 | 178.5° | 54.9° |
| H50 | C41 | O12 | C61 | 11.4° | 55.9° |
| H51 | C42 | H52 | H53 | 120.0° | 119.9° |
| C43 | N10 | H54 | C40 | 180.0° | 180.0° |
| N10 | C43 | C44 | C47 | 124.1° | 118.8° |
| N10 | C43 | C44 | H55 | 118.5° | 120.6° |
| N10 | C43 | C47 | H55 | 117.9° | 119.7° |
| N10 | C43 | C44 | C45 | 177.5° | 62.9° |
| N10 | C43 | C44 | C46 | 54.6° | 57.1° |
| N10 | C43 | C44 | H56 | 63.0° | 177.1° |
| N10 | C43 | C47 | O13 | 73.3° | 13.6° |
| N10 | C43 | C47 | N11 | 104.0° | 166.5° |
| H54 | N10 | C43 | C44 | 34.2° | 14.7° |
| H54 | N10 | C43 | C47 | 90.6° | 134.4° |
| H54 | N10 | C43 | H55 | 152.1° | 105.9° |
| C44 | C43 | C47 | H55 | 117.3° | 120.6° |
| C43 | C44 | C45 | C46 | 122.3° | 120.0° |
| C43 | C44 | C45 | H56 | 119.4° | 120.0° |
| C43 | C44 | C46 | H56 | 117.5° | 120.0° |
| C43 | C44 | C45 | H57 | 180.0° | 64.8° |
| C43 | C44 | C45 | H58 | 60.0° | 175.1° |
| C43 | C44 | C45 | H59 | 60.0° | 55.1° |
| C43 | C44 | C46 | H60 | 180.0° | 64.8° |
| C43 | C44 | C46 | H61 | 60.0° | 175.2° |
| C43 | C44 | C46 | H62 | 60.0° | 55.2° |
| C44 | C43 | C47 | O13 | 51.5° | 133.3° |
| C44 | C43 | N10 | C40 | 145.8° | 165.3° |
| C44 | C43 | C47 | N11 | 131.2° | 46.8° |
| C47 | C43 | C44 | C45 | 58.3° | 55.9° |
| C47 | C43 | C44 | C46 | 178.8° | 175.9° |
| C47 | C43 | C44 | H56 | 61.1° | 64.1° |
| C43 | C47 | O13 | N11 | 177.4° | 179.9° |
| C43 | C47 | N11 | C48 | 0.7° | 179.5° |
| C43 | C47 | N11 | C52 | 178.0° | 0.4° |
| C47 | C43 | N10 | C40 | 89.4° | 45.6° |
| H55 | C43 | C44 | C45 | 59.0° | 176.5° |
| H55 | C43 | C44 | C46 | 63.9° | 63.5° |
| H55 | C43 | C44 | H56 | 178.5° | 56.5° |
| H55 | C43 | C47 | O13 | 168.8° | 106.2° |
| H55 | C43 | N10 | C40 | 27.9° | 74.1° |
| H55 | C43 | C47 | N11 | 13.9° | 73.8° |
| C45 | C44 | C46 | H56 | 118.2° | 120.0° |
| C44 | C45 | H57 | H58 | 120.0° | 120.0° |
| C44 | C45 | H57 | H59 | 120.0° | 119.9° |
| C44 | C45 | H58 | H59 | 120.0° | 120.0° |
| C45 | C44 | C46 | H60 | 55.7° | 175.2° |
| C45 | C44 | C46 | H61 | 175.8° | 55.2° |
| C45 | C44 | C46 | H62 | 64.3° | 64.8° |
| C46 | C44 | C45 | H57 | 57.7° | 55.2° |
| C46 | C44 | C45 | H58 | 62.3° | 64.8° |
| C46 | C44 | C45 | H59 | 177.7° | 175.2° |
| C44 | C46 | H60 | H61 | 120.0° | 120.0° |
| C44 | C46 | H60 | H62 | 120.0° | 120.0° |
| C44 | C46 | H61 | H62 | 120.0° | 120.0° |
| H56 | C44 | C45 | H57 | 60.6° | 175.2° |
| H56 | C44 | C45 | H58 | 179.4° | 55.1° |
| H56 | C44 | C45 | H59 | 59.4° | 64.9° |
| H56 | C44 | C46 | H60 | 62.5° | 55.2° |
| H56 | C44 | C46 | H61 | 57.6° | 64.8° |
| H56 | C44 | C46 | H62 | 177.5° | 175.2° |
| H57 | C45 | H58 | H59 | 119.9° | 120.1° |
| H60 | C46 | H61 | H62 | 120.0° | 120.0° |
| O13 | C47 | N11 | C48 | 176.6° | 0.5° |
| O13 | C47 | N11 | C52 | 0.8° | 179.5° |
| C48 | N11 | C52 | C47 | 177.7° | 180.0° |
| N11 | C48 | C49 | C50 | 114.5° | 118.3° |
| N11 | C48 | C49 | H63 | 124.1° | 120.7° |
| N11 | C48 | C50 | H63 | 116.3° | 119.7° |
| N11 | C48 | C49 | O14 | 34.7° | 59.6° |
| N11 | C48 | C50 | C51 | 29.9° | 9.3° |
| N11 | C48 | C50 | H64 | 149.3° | 109.8° |
| N11 | C48 | C50 | H65 | 89.6° | 128.6° |
| C48 | N11 | C52 | C51 | 23.2° | 18.9° |
| C48 | N11 | C52 | H68 | 95.9° | 100.7° |
| C48 | N11 | C52 | H69 | 142.2° | 138.4° |
| N11 | C48 | C49 | N12 | 142.9° | 120.4° |
| C52 | N11 | C48 | C49 | 116.4° | 137.2° |
| C52 | N11 | C48 | C50 | 3.8° | 17.7° |
| C52 | N11 | C48 | H63 | 119.8° | 102.0° |
| N11 | C52 | C51 | C50 | 39.7° | 12.5° |
| N11 | C52 | C51 | H68 | 119.0° | 119.6° |
| N11 | C52 | C51 | H69 | 119.0° | 119.5° |
| N11 | C52 | C51 | H66 | 78.6° | 106.6° |
| N11 | C52 | C51 | H67 | 158.1° | 131.6° |
| N11 | C52 | H68 | H69 | 122.8° | 120.8° |
| C49 | C48 | C50 | H63 | 121.3° | 120.9° |
| C48 | C49 | O14 | N12 | 177.7° | 179.9° |
| C49 | C48 | C50 | C51 | 92.5° | 128.8° |
| C49 | C48 | C50 | H64 | 26.9° | 9.6° |
| C49 | C48 | C50 | H65 | 148.1° | 112.0° |
| C48 | C49 | N12 | C53 | 3.1° | 178.7° |
| C48 | C49 | N12 | C55 | 167.6° | 1.2° |
| C49 | C48 | N11 | C47 | 65.9° | 42.8° |
| C50 | C48 | C49 | O14 | 79.8° | 58.7° |
| C48 | C50 | C51 | H64 | 119.4° | 119.2° |
| C48 | C50 | C51 | H65 | 119.4° | 119.2° |
| C48 | C50 | H64 | H65 | 121.7° | 121.6° |
| C48 | C50 | C51 | C52 | 43.7° | 1.9° |
| C48 | C50 | C51 | H66 | 74.6° | 117.2° |
| C48 | C50 | C51 | H67 | 162.0° | 121.0° |
| C50 | C48 | N11 | C47 | 173.8° | 162.4° |
| C50 | C48 | C49 | N12 | 102.7° | 121.3° |
| H63 | C48 | C49 | O14 | 158.8° | 179.6° |
| H63 | C48 | C50 | C51 | 146.2° | 110.3° |
| H63 | C48 | C50 | H64 | 94.4° | 130.5° |
| H63 | C48 | C50 | H65 | 26.7° | 8.9° |
| H63 | C48 | N11 | C47 | 57.9° | 77.9° |
| H63 | C48 | C49 | N12 | 18.8° | 0.3° |
| O14 | C49 | N12 | C53 | 174.4° | 1.3° |
| O14 | C49 | N12 | C55 | 14.9° | 178.7° |
| C51 | C50 | H64 | H65 | 121.7° | 121.6° |
| C50 | C51 | C52 | H66 | 118.3° | 119.1° |
| C50 | C51 | C52 | H67 | 118.3° | 119.1° |
| C50 | C51 | H66 | H67 | 124.8° | 121.7° |
| C50 | C51 | C52 | H68 | 79.3° | 107.1° |
| C50 | C51 | C52 | H69 | 158.8° | 132.0° |
| H64 | C50 | C51 | C52 | 163.1° | 121.1° |
| H64 | C50 | C51 | H66 | 44.8° | 2.0° |
| H64 | C50 | C51 | H67 | 78.6° | 119.8° |
| H65 | C50 | C51 | C52 | 75.7° | 117.3° |
| H65 | C50 | C51 | H66 | 166.0° | 123.6° |
| H65 | C50 | C51 | H67 | 42.6° | 1.8° |
| C52 | C51 | H66 | H67 | 124.8° | 121.7° |
| C51 | C52 | H68 | H69 | 122.8° | 120.9° |
| C51 | C52 | N11 | C47 | 159.1° | 161.1° |
| H66 | C51 | C52 | H68 | 162.4° | 133.8° |
| H66 | C51 | C52 | H69 | 40.5° | 12.9° |
| H67 | C51 | C52 | H68 | 39.0° | 12.0° |
| H67 | C51 | C52 | H69 | 82.9° | 108.9° |
| H68 | C52 | N11 | C47 | 81.9° | 79.3° |
| H69 | C52 | N11 | C47 | 40.1° | 41.6° |
| C53 | N12 | C55 | C49 | 172.3° | 179.9° |
| N12 | C53 | C54 | H70 | 120.5° | 119.7° |
| N12 | C53 | C54 | H71 | 120.5° | 119.8° |
| N12 | C53 | H70 | H71 | 118.4° | 120.6° |
| N12 | C53 | C54 | O15 | 7.5° | 45.2° |
| C53 | N12 | C55 | H72 | 180.0° | 125.2° |
| C53 | N12 | C55 | H73 | 60.0° | 5.2° |
| C53 | N12 | C55 | H74 | 60.0° | 114.8° |
| N12 | C53 | C54 | N13 | 172.6° | 134.8° |
| C55 | N12 | C53 | C54 | 77.6° | 61.0° |
| C55 | N12 | C53 | H70 | 161.8° | 58.7° |
| C55 | N12 | C53 | H71 | 42.9° | 179.3° |
| N12 | C55 | H72 | H73 | 120.0° | 119.9° |
| N12 | C55 | H72 | H74 | 120.0° | 120.0° |
| N12 | C55 | H73 | H74 | 120.0° | 120.0° |
| C54 | C53 | H70 | H71 | 118.4° | 120.5° |
| C53 | C54 | O15 | N13 | 179.8° | 180.0° |
| C53 | C54 | N13 | C56 | 7.3° | 2.4° |
| C53 | C54 | N13 | C57 | 172.0° | 177.5° |
| C54 | C53 | N12 | C49 | 111.2° | 119.0° |
| H70 | C53 | C54 | O15 | 128.1° | 74.5° |
| H70 | C53 | N12 | C49 | 9.3° | 121.4° |
| H70 | C53 | C54 | N13 | 52.1° | 105.5° |
| H71 | C53 | C54 | O15 | 113.0° | 165.0° |
| H71 | C53 | N12 | C49 | 128.2° | 0.8° |
| H71 | C53 | C54 | N13 | 66.8° | 15.0° |
| O15 | C54 | N13 | C56 | 172.9° | 177.6° |
| O15 | C54 | N13 | C57 | 8.1° | 2.5° |
| H72 | C55 | H73 | H74 | 120.0° | 120.1° |
| H72 | C55 | N12 | C49 | 7.7° | 54.9° |
| H73 | C55 | N12 | C49 | 127.7° | 174.9° |
| H74 | C55 | N12 | C49 | 112.3° | 65.1° |
| C56 | N13 | C57 | C54 | 165.9° | 179.9° |
| N13 | C56 | H75 | H76 | 120.0° | 120.0° |
| N13 | C56 | H75 | H77 | 120.0° | 120.0° |
| N13 | C56 | H76 | H77 | 120.0° | 120.0° |
| C56 | N13 | C57 | C58 | 123.9° | 53.6° |
| C56 | N13 | C57 | C61 | 107.1° | 66.3° |
| C56 | N13 | C57 | H78 | 7.0° | 173.8° |
| C57 | N13 | C56 | H75 | 180.0° | 115.1° |
| C57 | N13 | C56 | H76 | 60.0° | 5.0° |
| C57 | N13 | C56 | H77 | 60.0° | 125.0° |
| N13 | C57 | C58 | C61 | 125.1° | 119.5° |
| N13 | C57 | C58 | H78 | 117.6° | 120.2° |
| N13 | C57 | C61 | H78 | 114.8° | 119.8° |
| N13 | C57 | C58 | C59 | 175.6° | 180.0° |
| N13 | C57 | C58 | C60 | 57.7° | 59.9° |
| N13 | C57 | C58 | H79 | 64.0° | 60.1° |
| N13 | C57 | C61 | O16 | 84.3° | 107.2° |
| N13 | C57 | C61 | O12 | 77.2° | 72.8° |
| H75 | C56 | H76 | H77 | 120.0° | 120.0° |
| H75 | C56 | N13 | C54 | 12.5° | 64.9° |
| H76 | C56 | N13 | C54 | 132.5° | 175.1° |
| H77 | C56 | N13 | C54 | 107.5° | 55.1° |
| C58 | C57 | C61 | H78 | 117.1° | 120.3° |
| C57 | C58 | C59 | C60 | 121.4° | 120.1° |
| C57 | C58 | C59 | H79 | 120.0° | 119.9° |
| C57 | C58 | C60 | H79 | 121.4° | 119.9° |
| C57 | C58 | C59 | H80 | 180.0° | 60.1° |
| C57 | C58 | C59 | H81 | 60.0° | 180.0° |
| C57 | C58 | C59 | H82 | 60.0° | 59.9° |
| C57 | C58 | C60 | H83 | 180.0° | 60.0° |
| C57 | C58 | C60 | H84 | 60.0° | 59.9° |
| C57 | C58 | C60 | H85 | 60.0° | 180.0° |
| C58 | C57 | C61 | O16 | 43.8° | 12.7° |
| C58 | C57 | C61 | O12 | 154.7° | 167.3° |
| C58 | C57 | N13 | C54 | 70.2° | 126.4° |
| C61 | C57 | C58 | C59 | 59.2° | 60.6° |
| C61 | C57 | C58 | C60 | 177.2° | 179.4° |
| C61 | C57 | C58 | H79 | 61.1° | 59.4° |
| C57 | C61 | O16 | O12 | 160.5° | 179.9° |
| C61 | C57 | N13 | C54 | 58.7° | 113.6° |
| H78 | C57 | C58 | C59 | 58.1° | 59.8° |
| H78 | C57 | C58 | C60 | 59.9° | 60.3° |
| H78 | C57 | C58 | H79 | 178.4° | 179.7° |
| H78 | C57 | C61 | O16 | 160.9° | 133.0° |
| H78 | C57 | C61 | O12 | 37.6° | 47.0° |
| H78 | C57 | N13 | C54 | 172.9° | 6.2° |
| C59 | C58 | C60 | H79 | 118.6° | 120.0° |
| C58 | C59 | H80 | H81 | 120.0° | 120.0° |
| C58 | C59 | H80 | H82 | 120.0° | 120.0° |
| C58 | C59 | H81 | H82 | 120.0° | 120.0° |
| C59 | C58 | C60 | H83 | 60.0° | 60.0° |
| C59 | C58 | C60 | H84 | 60.0° | 180.0° |
| C59 | C58 | C60 | H85 | 179.9° | 60.0° |
| C60 | C58 | C59 | H80 | 58.6° | 60.0° |
| C60 | C58 | C59 | H81 | 178.6° | 60.0° |
| C60 | C58 | C59 | H82 | 61.4° | 180.0° |
| C58 | C60 | H83 | H84 | 120.0° | 120.0° |
| C58 | C60 | H83 | H85 | 120.0° | 120.0° |
| C58 | C60 | H84 | H85 | 120.0° | 120.0° |
| H79 | C58 | C59 | H80 | 60.0° | 180.0° |
| H79 | C58 | C59 | H81 | 60.0° | 60.0° |
| H79 | C58 | C59 | H82 | 180.0° | 60.0° |
| H79 | C58 | C60 | H83 | 58.6° | 180.0° |
| H79 | C58 | C60 | H84 | 178.6° | 60.0° |
| H79 | C58 | C60 | H85 | 61.4° | 60.0° |
| H80 | C59 | H81 | H82 | 120.0° | 120.0° |
| H83 | C60 | H84 | H85 | 120.0° | 120.0° |
