PRD_001195
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | C4 | sing | 1.46Å | 1.46Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | C8 | sing | 1.47Å | 1.46Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | O5 | sing | 1.43Å | 1.42Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| N5 | C11 | sing | 1.46Å | 1.46Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | O6 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | N6 | sing | 1.46Å | 1.46Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| N6 | C16 | sing | 1.37Å | 1.33Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C16 | N7 | sing | 1.33Å | 1.33Å | |
| C16 | N8 | doub | 1.33Å | 1.33Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| N7 | H28 | sing | 0.97Å | 1.00Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å | |
| N9 | C17 | sing | 1.47Å | 1.46Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.48Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.34Å | 1.37Å | Aromatic |
| C20 | C22 | sing | 1.46Å | 1.43Å | Aromatic |
| C21 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C21 | H35 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C26 | doub | 1.37Å | 1.38Å | Aromatic |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | H38 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| O8 | C28 | doub | 1.21Å | 1.24Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | N11 | sing | 1.35Å | 1.45Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| N11 | C30 | sing | 1.46Å | 1.49Å | |
| N11 | H44 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.48Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | N12 | sing | 1.47Å | 1.45Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| N12 | H54 | sing | 0.97Å | 1.00Å | |
| C35 | O9 | doub | 1.21Å | 1.23Å | |
| N13 | C36 | sing | 1.47Å | 1.47Å | |
| N13 | H55 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | O10 | doub | 1.21Å | 1.23Å | |
| C38 | O11 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| O11 | H58 | sing | 0.97Å | 0.95Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| N14 | C40 | sing | 1.46Å | 1.45Å | |
| N14 | H62 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | O12 | doub | 1.21Å | 1.24Å | |
| C42 | O13 | sing | 1.43Å | 1.42Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| O13 | H66 | sing | 0.97Å | 0.95Å | |
| N15 | C43 | sing | 1.47Å | 1.46Å | |
| N15 | H67 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.55Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | O14 | doub | 1.21Å | 1.24Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.51Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| C46 | C48 | sing | 1.53Å | 1.52Å | |
| C46 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C48 | H76 | sing | 1.09Å | 1.10Å | |
| C48 | H77 | sing | 1.09Å | 1.10Å | |
| N16 | C49 | sing | 1.47Å | 1.46Å | |
| N16 | H78 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.52Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C50 | O15 | doub | 1.21Å | 1.23Å | |
| C50 | O16 | sing | 1.34Å | 1.24Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.52Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C52 | H81 | sing | 1.09Å | 1.10Å | |
| C52 | H82 | sing | 1.09Å | 1.10Å | |
| C53 | H83 | sing | 1.09Å | 1.10Å | |
| C53 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| C54 | H87 | sing | 1.09Å | 1.10Å | |
| C54 | H88 | sing | 1.09Å | 1.10Å | |
| O16 | H89 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C5 | N4 | sing | 1.35Å | 1.33Å | |
| C9 | N5 | sing | 1.35Å | 1.33Å | |
| C12 | N9 | sing | 1.35Å | 1.33Å | |
| C18 | N12 | sing | 1.35Å | 1.32Å | |
| C35 | N13 | sing | 1.35Å | 1.33Å | |
| C37 | N14 | sing | 1.35Å | 1.33Å | |
| C41 | N15 | sing | 1.35Å | 1.33Å | |
| C44 | N16 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.1° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 111.9° | 109.5° |
| N1 | C1 | C3 | 110.3° | 109.5° |
| N1 | C1 | H3 | 108.6° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 110.3° | 109.5° |
| C2 | C1 | H3 | 107.8° | 109.5° |
| C1 | C2 | O1 | 121.0° | 120.0° |
| C1 | C2 | N2 | 115.9° | 120.0° |
| C3 | C1 | H3 | 107.8° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.4° | 109.5° |
| C1 | C3 | H6 | 109.5° | 109.5° |
| O1 | C2 | N2 | 123.1° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| C4 | N2 | H7 | 118.9° | 120.0° |
| N2 | C4 | C5 | 111.0° | 109.5° |
| N2 | C4 | C6 | 109.9° | 109.5° |
| N2 | C4 | H8 | 109.1° | 109.5° |
| C4 | N2 | C2 | 122.3° | 120.0° |
| H7 | N2 | C2 | 118.8° | 120.0° |
| C5 | C4 | C6 | 110.4° | 109.4° |
| C5 | C4 | H8 | 108.2° | 109.5° |
| C4 | C5 | O2 | 120.8° | 119.9° |
| C4 | C5 | N4 | 116.2° | 120.0° |
| C6 | C4 | H8 | 108.2° | 109.4° |
| C4 | C6 | C7 | 112.9° | 109.5° |
| C4 | C6 | H9 | 108.6° | 109.4° |
| C4 | C6 | H10 | 108.6° | 109.5° |
| O2 | C5 | N4 | 123.0° | 120.0° |
| C7 | C6 | H9 | 108.6° | 109.4° |
| C7 | C6 | H10 | 108.6° | 109.5° |
| C6 | C7 | O3 | 121.1° | 120.0° |
| C6 | C7 | N3 | 116.3° | 120.0° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| O3 | C7 | N3 | 122.6° | 120.0° |
| C7 | N3 | H11 | 120.0° | 120.0° |
| C7 | N3 | H12 | 120.0° | 120.0° |
| H11 | N3 | H12 | 120.0° | 120.0° |
| C8 | N4 | H13 | 119.2° | 120.0° |
| N4 | C8 | C9 | 112.5° | 109.5° |
| N4 | C8 | C10 | 110.4° | 109.5° |
| N4 | C8 | H14 | 108.5° | 109.4° |
| C8 | N4 | C5 | 121.5° | 120.0° |
| H13 | N4 | C5 | 119.3° | 120.0° |
| C9 | C8 | C10 | 110.0° | 109.5° |
| C9 | C8 | H14 | 107.7° | 109.5° |
| C8 | C9 | O4 | 120.5° | 120.0° |
| C8 | C9 | N5 | 116.8° | 120.0° |
| C10 | C8 | H14 | 107.6° | 109.5° |
| C8 | C10 | O5 | 111.1° | 109.5° |
| C8 | C10 | H15 | 109.1° | 109.5° |
| C8 | C10 | H16 | 109.1° | 109.5° |
| O4 | C9 | N5 | 122.7° | 120.0° |
| O5 | C10 | H15 | 109.1° | 109.4° |
| O5 | C10 | H16 | 109.1° | 109.5° |
| C10 | O5 | H17 | 109.5° | 114.0° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| C11 | N5 | H18 | 119.7° | 120.0° |
| N5 | C11 | C12 | 111.6° | 109.5° |
| N5 | C11 | C13 | 111.6° | 109.5° |
| N5 | C11 | H19 | 108.3° | 109.5° |
| C11 | N5 | C9 | 120.7° | 120.0° |
| H18 | N5 | C9 | 119.6° | 120.0° |
| C12 | C11 | C13 | 110.3° | 109.5° |
| C12 | C11 | H19 | 107.5° | 109.4° |
| C11 | C12 | O6 | 120.3° | 119.9° |
| C11 | C12 | N9 | 116.4° | 120.0° |
| C13 | C11 | H19 | 107.4° | 109.5° |
| C11 | C13 | C14 | 113.3° | 109.5° |
| C11 | C13 | H20 | 108.5° | 109.5° |
| C11 | C13 | H21 | 108.5° | 109.5° |
| O6 | C12 | N9 | 123.3° | 120.0° |
| C14 | C13 | H20 | 108.5° | 109.4° |
| C14 | C13 | H21 | 108.5° | 109.5° |
| C13 | C14 | C15 | 112.2° | 109.5° |
| C13 | C14 | H22 | 108.8° | 109.4° |
| C13 | C14 | H23 | 108.8° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| C15 | C14 | H22 | 108.8° | 109.5° |
| C15 | C14 | H23 | 108.8° | 109.5° |
| C14 | C15 | N6 | 112.4° | 109.5° |
| C14 | C15 | H24 | 108.7° | 109.5° |
| C14 | C15 | H25 | 108.8° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.4° |
| N6 | C15 | H24 | 108.7° | 109.4° |
| N6 | C15 | H25 | 108.7° | 109.5° |
| C15 | N6 | C16 | 124.3° | 120.0° |
| C15 | N6 | H26 | 117.8° | 120.0° |
| H24 | C15 | H25 | 109.5° | 109.4° |
| C16 | N6 | H26 | 117.8° | 120.0° |
| N6 | C16 | N7 | 120.1° | 120.0° |
| N6 | C16 | N8 | 120.0° | 120.0° |
| N7 | C16 | N8 | 119.8° | 120.0° |
| C16 | N7 | H27 | 120.0° | 120.0° |
| C16 | N7 | H28 | 120.0° | 120.0° |
| C16 | N8 | H29 | 120.0° | 120.0° |
| C16 | N8 | H30 | 120.0° | 120.0° |
| H27 | N7 | H28 | 120.0° | 120.0° |
| H29 | N8 | H30 | 120.0° | 120.0° |
| C17 | N9 | H31 | 119.2° | 120.0° |
| N9 | C17 | C18 | 110.2° | 109.5° |
| N9 | C17 | C19 | 112.2° | 109.5° |
| N9 | C17 | H32 | 109.6° | 109.4° |
| C17 | N9 | C12 | 121.6° | 120.0° |
| H31 | N9 | C12 | 119.2° | 120.0° |
| C18 | C17 | C19 | 107.2° | 109.5° |
| C18 | C17 | H32 | 108.8° | 109.5° |
| C17 | C18 | O7 | 121.3° | 120.0° |
| C17 | C18 | N12 | 115.1° | 120.0° |
| C19 | C17 | H32 | 108.7° | 109.4° |
| C17 | C19 | C20 | 116.4° | 109.5° |
| C17 | C19 | H33 | 107.7° | 109.4° |
| C17 | C19 | H34 | 107.7° | 109.5° |
| O7 | C18 | N12 | 123.6° | 120.0° |
| C20 | C19 | H33 | 107.7° | 109.4° |
| C20 | C19 | H34 | 107.7° | 109.5° |
| C19 | C20 | C21 | 127.7° | 126.5° |
| C19 | C20 | C22 | 125.7° | 126.5° |
| H33 | C19 | H34 | 109.4° | 109.5° |
| C21 | C20 | C22 | 106.5° | 107.0° |
| C20 | C21 | N10 | 109.9° | 109.9° |
| C20 | C21 | H35 | 125.1° | 125.0° |
| C20 | C22 | C23 | 107.3° | 106.0° |
| C20 | C22 | C24 | 133.8° | 134.0° |
| N10 | C21 | H35 | 125.1° | 125.1° |
| C21 | N10 | C23 | 109.0° | 109.9° |
| C21 | N10 | H36 | 125.6° | 125.0° |
| C23 | C22 | C24 | 118.9° | 119.9° |
| C22 | C23 | N10 | 107.4° | 107.1° |
| C22 | C23 | C25 | 122.2° | 119.3° |
| C22 | C24 | C26 | 118.8° | 119.7° |
| C22 | C24 | H37 | 120.6° | 120.2° |
| C23 | N10 | H36 | 125.5° | 125.0° |
| N10 | C23 | C25 | 130.4° | 133.6° |
| C23 | C25 | C27 | 117.5° | 119.8° |
| C23 | C25 | H38 | 121.3° | 120.1° |
| C26 | C24 | H37 | 120.6° | 120.1° |
| C24 | C26 | C27 | 121.1° | 120.6° |
| C24 | C26 | H39 | 119.5° | 119.7° |
| C27 | C25 | H38 | 121.2° | 120.1° |
| C25 | C27 | C26 | 121.5° | 120.6° |
| C25 | C27 | H40 | 119.3° | 119.7° |
| C27 | C26 | H39 | 119.5° | 119.7° |
| C26 | C27 | H40 | 119.2° | 119.7° |
| O8 | C28 | C29 | 120.9° | 120.0° |
| O8 | C28 | N11 | 122.0° | 120.0° |
| C29 | C28 | N11 | 116.7° | 120.0° |
| C28 | C29 | H41 | 109.5° | 109.5° |
| C28 | C29 | H42 | 109.5° | 109.5° |
| C28 | C29 | H43 | 109.5° | 109.5° |
| C28 | N11 | C30 | 120.0° | 120.1° |
| C28 | N11 | H44 | 120.0° | 120.0° |
| H41 | C29 | H42 | 109.5° | 109.5° |
| H41 | C29 | H43 | 109.5° | 109.4° |
| H42 | C29 | H43 | 109.5° | 109.5° |
| C30 | N11 | H44 | 120.0° | 120.0° |
| N11 | C30 | C31 | 108.3° | 109.5° |
| N11 | C30 | H45 | 109.8° | 109.4° |
| N11 | C30 | H46 | 109.8° | 109.4° |
| C31 | C30 | H45 | 109.8° | 109.5° |
| C31 | C30 | H46 | 109.8° | 109.5° |
| C30 | C31 | C32 | 109.4° | 109.5° |
| C30 | C31 | H47 | 109.5° | 109.5° |
| C30 | C31 | H48 | 109.5° | 109.5° |
| H45 | C30 | H46 | 109.5° | 109.4° |
| C32 | C31 | H47 | 109.5° | 109.5° |
| C32 | C31 | H48 | 109.5° | 109.5° |
| C31 | C32 | C33 | 109.8° | 109.5° |
| C31 | C32 | H49 | 109.4° | 109.4° |
| C31 | C32 | H50 | 109.4° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.4° |
| C33 | C32 | H49 | 109.4° | 109.5° |
| C33 | C32 | H50 | 109.4° | 109.5° |
| C32 | C33 | C34 | 113.9° | 109.4° |
| C32 | C33 | H51 | 108.4° | 109.5° |
| C32 | C33 | H52 | 108.4° | 109.5° |
| H49 | C32 | H50 | 109.5° | 109.5° |
| C34 | C33 | H51 | 108.3° | 109.4° |
| C34 | C33 | H52 | 108.3° | 109.4° |
| C33 | C34 | N12 | 108.3° | 109.5° |
| C33 | C34 | C35 | 109.6° | 109.5° |
| C33 | C34 | H53 | 109.0° | 109.5° |
| H51 | C33 | H52 | 109.5° | 109.5° |
| N12 | C34 | C35 | 111.1° | 109.4° |
| N12 | C34 | H53 | 110.0° | 109.5° |
| C34 | N12 | H54 | 118.8° | 120.0° |
| C34 | N12 | C18 | 122.4° | 120.0° |
| C35 | C34 | H53 | 108.8° | 109.4° |
| C34 | C35 | O9 | 120.3° | 120.0° |
| C34 | C35 | N13 | 116.3° | 119.9° |
| H54 | N12 | C18 | 118.8° | 120.0° |
| O9 | C35 | N13 | 123.4° | 120.1° |
| C36 | N13 | H55 | 118.7° | 120.0° |
| N13 | C36 | C37 | 110.4° | 109.4° |
| N13 | C36 | C38 | 111.3° | 109.4° |
| N13 | C36 | H56 | 109.3° | 109.5° |
| C36 | N13 | C35 | 122.6° | 119.9° |
| H55 | N13 | C35 | 118.7° | 120.1° |
| C37 | C36 | C38 | 108.5° | 109.5° |
| C37 | C36 | H56 | 108.7° | 109.5° |
| C36 | C37 | O10 | 120.6° | 120.0° |
| C36 | C37 | N14 | 116.4° | 120.0° |
| C38 | C36 | H56 | 108.5° | 109.5° |
| C36 | C38 | O11 | 108.9° | 109.5° |
| C36 | C38 | C39 | 111.1° | 109.5° |
| C36 | C38 | H57 | 108.6° | 109.5° |
| O10 | C37 | N14 | 123.1° | 120.0° |
| O11 | C38 | C39 | 109.5° | 109.5° |
| O11 | C38 | H57 | 110.0° | 109.5° |
| C38 | O11 | H58 | 109.5° | 114.0° |
| C39 | C38 | H57 | 108.7° | 109.5° |
| C38 | C39 | H59 | 109.5° | 109.5° |
| C38 | C39 | H60 | 109.5° | 109.5° |
| C38 | C39 | H61 | 109.5° | 109.5° |
| H59 | C39 | H60 | 109.4° | 109.5° |
| H59 | C39 | H61 | 109.5° | 109.4° |
| H60 | C39 | H61 | 109.5° | 109.5° |
| C40 | N14 | H62 | 119.1° | 120.0° |
| N14 | C40 | C41 | 110.4° | 109.5° |
| N14 | C40 | C42 | 110.4° | 109.5° |
| N14 | C40 | H63 | 109.8° | 109.5° |
| C40 | N14 | C37 | 121.8° | 120.0° |
| H62 | N14 | C37 | 119.1° | 120.0° |
| C41 | C40 | C42 | 108.8° | 109.4° |
| C41 | C40 | H63 | 108.8° | 109.5° |
| C40 | C41 | O12 | 120.8° | 120.0° |
| C40 | C41 | N15 | 115.7° | 120.0° |
| C42 | C40 | H63 | 108.7° | 109.5° |
| C40 | C42 | O13 | 111.4° | 109.5° |
| C40 | C42 | H64 | 109.0° | 109.5° |
| C40 | C42 | H65 | 109.0° | 109.5° |
| O12 | C41 | N15 | 123.5° | 120.0° |
| O13 | C42 | H64 | 109.0° | 109.5° |
| O13 | C42 | H65 | 109.0° | 109.5° |
| C42 | O13 | H66 | 109.5° | 114.0° |
| H64 | C42 | H65 | 109.5° | 109.4° |
| C43 | N15 | H67 | 118.7° | 120.0° |
| N15 | C43 | C44 | 107.5° | 109.5° |
| N15 | C43 | C45 | 110.2° | 109.4° |
| N15 | C43 | H68 | 110.7° | 109.5° |
| C43 | N15 | C41 | 122.5° | 120.0° |
| H67 | N15 | C41 | 118.7° | 120.0° |
| C44 | C43 | C45 | 108.9° | 109.5° |
| C44 | C43 | H68 | 109.8° | 109.5° |
| C43 | C44 | O14 | 119.8° | 120.0° |
| C43 | C44 | N16 | 117.4° | 120.0° |
| C45 | C43 | H68 | 109.6° | 109.4° |
| C43 | C45 | C46 | 111.1° | 109.5° |
| C43 | C45 | C47 | 110.8° | 109.4° |
| C43 | C45 | H69 | 108.1° | 109.5° |
| O14 | C44 | N16 | 122.8° | 120.0° |
| C46 | C45 | C47 | 110.1° | 109.5° |
| C46 | C45 | H69 | 108.3° | 109.5° |
| C45 | C46 | C48 | 113.1° | 109.5° |
| C45 | C46 | H70 | 108.6° | 109.4° |
| C45 | C46 | H71 | 108.6° | 109.5° |
| C47 | C45 | H69 | 108.5° | 109.5° |
| C45 | C47 | H72 | 109.5° | 109.5° |
| C45 | C47 | H73 | 109.5° | 109.5° |
| C45 | C47 | H74 | 109.5° | 109.5° |
| C48 | C46 | H70 | 108.6° | 109.5° |
| C48 | C46 | H71 | 108.6° | 109.5° |
| C46 | C48 | H75 | 109.5° | 109.4° |
| C46 | C48 | H76 | 109.5° | 109.4° |
| C46 | C48 | H77 | 109.5° | 109.4° |
| H70 | C46 | H71 | 109.4° | 109.5° |
| H72 | C47 | H73 | 109.4° | 109.5° |
| H72 | C47 | H74 | 109.5° | 109.5° |
| H73 | C47 | H74 | 109.5° | 109.5° |
| H75 | C48 | H76 | 109.5° | 109.5° |
| H75 | C48 | H77 | 109.5° | 109.5° |
| H76 | C48 | H77 | 109.5° | 109.5° |
| C49 | N16 | H78 | 119.0° | 119.9° |
| N16 | C49 | C50 | 112.2° | 109.4° |
| N16 | C49 | C51 | 111.7° | 109.5° |
| N16 | C49 | H79 | 108.7° | 109.4° |
| C49 | N16 | C44 | 122.0° | 120.0° |
| H78 | N16 | C44 | 119.0° | 120.0° |
| C50 | C49 | C51 | 108.4° | 109.5° |
| C50 | C49 | H79 | 107.9° | 109.4° |
| C49 | C50 | O15 | 120.9° | 120.0° |
| C49 | C50 | O16 | 118.6° | 120.0° |
| C51 | C49 | H79 | 107.8° | 109.5° |
| C49 | C51 | C52 | 111.1° | 109.5° |
| C49 | C51 | C53 | 110.5° | 109.5° |
| C49 | C51 | H80 | 108.2° | 109.5° |
| O15 | C50 | O16 | 120.4° | 120.0° |
| C50 | O16 | H89 | 109.5° | 117.0° |
| C52 | C51 | C53 | 110.5° | 109.4° |
| C52 | C51 | H80 | 108.2° | 109.5° |
| C51 | C52 | C54 | 113.3° | 109.4° |
| C51 | C52 | H81 | 108.5° | 109.5° |
| C51 | C52 | H82 | 108.5° | 109.5° |
| C53 | C51 | H80 | 108.3° | 109.5° |
| C51 | C53 | H83 | 109.5° | 109.5° |
| C51 | C53 | H84 | 109.5° | 109.5° |
| C51 | C53 | H85 | 109.5° | 109.4° |
| C54 | C52 | H81 | 108.5° | 109.4° |
| C54 | C52 | H82 | 108.5° | 109.5° |
| C52 | C54 | H86 | 109.5° | 109.5° |
| C52 | C54 | H87 | 109.5° | 109.5° |
| C52 | C54 | H88 | 109.5° | 109.5° |
| H81 | C52 | H82 | 109.5° | 109.5° |
| H83 | C53 | H84 | 109.5° | 109.5° |
| H83 | C53 | H85 | 109.5° | 109.5° |
| H84 | C53 | H85 | 109.4° | 109.5° |
| H86 | C54 | H87 | 109.4° | 109.4° |
| H86 | C54 | H88 | 109.4° | 109.4° |
| H87 | C54 | H88 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 123.2° | 120.0° |
| N1 | C1 | C2 | H3 | 119.4° | 120.0° |
| N1 | C1 | C3 | H3 | 118.4° | 120.0° |
| N1 | C1 | C2 | O1 | 17.6° | 0.0° |
| N1 | C1 | C3 | H4 | 180.0° | 60.0° |
| N1 | C1 | C3 | H5 | 60.0° | 180.0° |
| N1 | C1 | C3 | H6 | 60.0° | 60.0° |
| N1 | C1 | C2 | N2 | 162.3° | 180.0° |
| H1 | N1 | C1 | C2 | 180.0° | 180.0° |
| H1 | N1 | C1 | C3 | 56.8° | 60.0° |
| H1 | N1 | C1 | H3 | 61.1° | 60.0° |
| H2 | N1 | C1 | C2 | 60.0° | 56.0° |
| H2 | N1 | C1 | C3 | 176.8° | 176.1° |
| H2 | N1 | C1 | H3 | 58.9° | 63.9° |
| C2 | C1 | C3 | H3 | 117.4° | 120.0° |
| C1 | C2 | O1 | N2 | 180.0° | 180.0° |
| C2 | C1 | C3 | H4 | 55.8° | 60.0° |
| C2 | C1 | C3 | H5 | 175.8° | 60.0° |
| C2 | C1 | C3 | H6 | 64.2° | 180.0° |
| C1 | C2 | N2 | C4 | 175.9° | 174.9° |
| C1 | C2 | N2 | H7 | 4.1° | 5.1° |
| C3 | C1 | C2 | O1 | 105.6° | 120.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C1 | C2 | N2 | 74.5° | 60.0° |
| H3 | C1 | C2 | O1 | 137.0° | 120.0° |
| H3 | C1 | C3 | H4 | 61.6° | 180.0° |
| H3 | C1 | C3 | H5 | 58.4° | 60.0° |
| H3 | C1 | C3 | H6 | 178.4° | 60.0° |
| H3 | C1 | C2 | N2 | 43.0° | 60.0° |
| O1 | C2 | N2 | C4 | 4.1° | 5.1° |
| O1 | C2 | N2 | H7 | 175.9° | 174.9° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| C4 | N2 | H7 | C2 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 122.1° | 120.0° |
| N2 | C4 | C5 | H8 | 119.7° | 120.1° |
| N2 | C4 | C6 | H8 | 119.0° | 120.0° |
| N2 | C4 | C5 | O2 | 75.8° | 0.0° |
| N2 | C4 | C6 | C7 | 179.9° | 65.0° |
| N2 | C4 | C6 | H9 | 59.6° | 54.9° |
| N2 | C4 | C6 | H10 | 59.4° | 174.9° |
| N2 | C4 | C5 | N4 | 104.1° | 180.0° |
| H7 | N2 | C4 | C5 | 112.1° | 97.4° |
| H7 | N2 | C4 | C6 | 10.3° | 22.5° |
| H7 | N2 | C4 | H8 | 128.7° | 142.5° |
| C5 | C4 | C6 | H8 | 118.2° | 120.0° |
| C4 | C5 | O2 | N4 | 179.9° | 180.0° |
| C5 | C4 | C6 | C7 | 57.1° | 175.0° |
| C5 | C4 | C6 | H9 | 177.7° | 65.1° |
| C5 | C4 | C6 | H10 | 63.4° | 54.9° |
| C4 | C5 | N4 | C8 | 177.4° | 180.0° |
| C4 | C5 | N4 | H13 | 2.6° | 0.1° |
| C5 | C4 | N2 | C2 | 67.9° | 82.6° |
| C6 | C4 | C5 | O2 | 46.3° | 120.0° |
| C4 | C6 | C7 | H9 | 120.5° | 119.9° |
| C4 | C6 | C7 | H10 | 120.5° | 120.0° |
| C4 | C6 | H9 | H10 | 118.4° | 120.0° |
| C4 | C6 | C7 | O3 | 25.2° | 5.7° |
| C4 | C6 | C7 | N3 | 155.3° | 174.3° |
| C6 | C4 | N2 | C2 | 169.7° | 157.4° |
| C6 | C4 | C5 | N4 | 133.8° | 60.0° |
| H8 | C4 | C5 | O2 | 164.5° | 120.0° |
| H8 | C4 | C6 | C7 | 61.1° | 55.0° |
| H8 | C4 | C6 | H9 | 59.5° | 174.9° |
| H8 | C4 | C6 | H10 | 178.4° | 65.1° |
| H8 | C4 | N2 | C2 | 51.3° | 37.4° |
| H8 | C4 | C5 | N4 | 15.6° | 59.9° |
| O2 | C5 | N4 | C8 | 2.5° | 0.0° |
| O2 | C5 | N4 | H13 | 177.4° | 180.0° |
| C7 | C6 | H9 | H10 | 118.4° | 120.0° |
| C6 | C7 | O3 | N3 | 179.4° | 180.0° |
| C6 | C7 | N3 | H11 | 179.5° | 0.0° |
| C6 | C7 | N3 | H12 | 0.5° | 180.0° |
| H9 | C6 | C7 | O3 | 145.7° | 125.7° |
| H9 | C6 | C7 | N3 | 34.8° | 54.3° |
| H10 | C6 | C7 | O3 | 95.3° | 114.3° |
| H10 | C6 | C7 | N3 | 84.2° | 65.7° |
| O3 | C7 | N3 | H11 | 0.0° | 180.0° |
| O3 | C7 | N3 | H12 | 180.0° | 0.0° |
| C7 | N3 | H11 | H12 | 180.0° | 179.9° |
| C8 | N4 | H13 | C5 | 180.0° | 179.9° |
| N4 | C8 | C9 | C10 | 123.5° | 120.0° |
| N4 | C8 | C9 | H14 | 119.5° | 120.0° |
| N4 | C8 | C10 | H14 | 118.3° | 120.0° |
| N4 | C8 | C9 | O4 | 137.0° | 0.0° |
| N4 | C8 | C10 | O5 | 72.9° | 65.0° |
| N4 | C8 | C10 | H15 | 166.9° | 175.0° |
| N4 | C8 | C10 | H16 | 47.4° | 55.0° |
| N4 | C8 | C9 | N5 | 43.3° | 180.0° |
| H13 | N4 | C8 | C9 | 85.2° | 25.0° |
| H13 | N4 | C8 | C10 | 38.1° | 95.0° |
| H13 | N4 | C8 | H14 | 155.8° | 145.0° |
| C9 | C8 | C10 | H14 | 117.0° | 120.0° |
| C8 | C9 | O4 | N5 | 179.7° | 180.0° |
| C9 | C8 | C10 | O5 | 51.8° | 55.0° |
| C9 | C8 | C10 | H15 | 68.4° | 65.0° |
| C9 | C8 | C10 | H16 | 172.1° | 175.0° |
| C8 | C9 | N5 | C11 | 177.3° | 180.0° |
| C8 | C9 | N5 | H18 | 2.7° | 0.0° |
| C9 | C8 | N4 | C5 | 94.8° | 154.9° |
| C10 | C8 | C9 | O4 | 13.5° | 120.0° |
| C8 | C10 | O5 | H15 | 120.2° | 120.0° |
| C8 | C10 | O5 | H16 | 120.3° | 120.1° |
| C8 | C10 | H15 | H16 | 119.3° | 120.0° |
| C8 | C10 | O5 | H17 | 50.5° | 180.0° |
| C10 | C8 | N4 | C5 | 141.9° | 85.0° |
| C10 | C8 | C9 | N5 | 166.8° | 60.0° |
| H14 | C8 | C9 | O4 | 103.5° | 120.0° |
| H14 | C8 | C10 | O5 | 168.8° | 175.0° |
| H14 | C8 | C10 | H15 | 48.6° | 55.0° |
| H14 | C8 | C10 | H16 | 70.9° | 65.0° |
| H14 | C8 | N4 | C5 | 24.2° | 35.0° |
| H14 | C8 | C9 | N5 | 76.2° | 60.0° |
| O4 | C9 | N5 | C11 | 2.4° | 0.0° |
| O4 | C9 | N5 | H18 | 177.6° | 180.0° |
| O5 | C10 | H15 | H16 | 119.3° | 120.0° |
| H15 | C10 | O5 | H17 | 69.7° | 60.0° |
| H16 | C10 | O5 | H17 | 170.7° | 60.0° |
| C11 | N5 | H18 | C9 | 180.0° | 180.0° |
| N5 | C11 | C12 | C13 | 124.6° | 120.1° |
| N5 | C11 | C12 | H19 | 118.6° | 120.0° |
| N5 | C11 | C13 | H19 | 118.5° | 120.0° |
| N5 | C11 | C12 | O6 | 142.1° | 0.0° |
| N5 | C11 | C13 | C14 | 116.0° | 65.0° |
| N5 | C11 | C13 | H20 | 4.5° | 55.0° |
| N5 | C11 | C13 | H21 | 123.4° | 174.9° |
| N5 | C11 | C12 | N9 | 38.3° | 180.0° |
| H18 | N5 | C11 | C12 | 105.0° | 25.0° |
| H18 | N5 | C11 | C13 | 18.8° | 95.0° |
| H18 | N5 | C11 | H19 | 136.9° | 145.0° |
| C12 | C11 | C13 | H19 | 116.9° | 119.9° |
| C11 | C12 | O6 | N9 | 179.6° | 180.0° |
| C12 | C11 | C13 | C14 | 119.4° | 175.0° |
| C12 | C11 | C13 | H20 | 120.1° | 65.0° |
| C12 | C11 | C13 | H21 | 1.2° | 54.9° |
| C11 | C12 | N9 | C17 | 176.5° | 180.0° |
| C11 | C12 | N9 | H31 | 3.5° | 0.0° |
| C12 | C11 | N5 | C9 | 75.0° | 155.0° |
| C13 | C11 | C12 | O6 | 93.4° | 120.0° |
| C11 | C13 | C14 | H20 | 120.5° | 120.0° |
| C11 | C13 | C14 | H21 | 120.6° | 120.1° |
| C11 | C13 | H20 | H21 | 118.3° | 120.0° |
| C11 | C13 | C14 | C15 | 141.3° | NaN° |
| C11 | C13 | C14 | H22 | 20.9° | 60.0° |
| C11 | C13 | C14 | H23 | 98.3° | 59.9° |
| C13 | C11 | N5 | C9 | 161.2° | 85.0° |
| C13 | C11 | C12 | N9 | 86.2° | 59.9° |
| H19 | C11 | C12 | O6 | 23.5° | 120.0° |
| H19 | C11 | C13 | C14 | 2.5° | 55.0° |
| H19 | C11 | C13 | H20 | 123.1° | 175.0° |
| H19 | C11 | C13 | H21 | 118.1° | 65.0° |
| H19 | C11 | N5 | C9 | 43.2° | 35.0° |
| H19 | C11 | C12 | N9 | 156.9° | 60.0° |
| O6 | C12 | N9 | C17 | 3.9° | 0.0° |
| O6 | C12 | N9 | H31 | 176.1° | 180.0° |
| C14 | C13 | H20 | H21 | 118.3° | 119.9° |
| C13 | C14 | C15 | H22 | 120.4° | 120.0° |
| C13 | C14 | C15 | H23 | 120.4° | 120.1° |
| C13 | C14 | H22 | H23 | 118.8° | 119.9° |
| C13 | C14 | C15 | N6 | 70.0° | 180.0° |
| C13 | C14 | C15 | H24 | 50.3° | 60.0° |
| C13 | C14 | C15 | H25 | 169.5° | 60.0° |
| H20 | C13 | C14 | C15 | 98.2° | 60.0° |
| H20 | C13 | C14 | H22 | 141.4° | 180.0° |
| H20 | C13 | C14 | H23 | 22.2° | 60.1° |
| H21 | C13 | C14 | C15 | 20.7° | 59.9° |
| H21 | C13 | C14 | H22 | 99.7° | 60.1° |
| H21 | C13 | C14 | H23 | 141.1° | 180.0° |
| C15 | C14 | H22 | H23 | 118.8° | 120.0° |
| C14 | C15 | N6 | H24 | 120.4° | 120.0° |
| C14 | C15 | N6 | H25 | 120.4° | 120.1° |
| C14 | C15 | H24 | H25 | 118.7° | 120.0° |
| C14 | C15 | N6 | C16 | 99.7° | 180.0° |
| C14 | C15 | N6 | H26 | 80.3° | 0.1° |
| H22 | C14 | C15 | N6 | 169.6° | 60.0° |
| H22 | C14 | C15 | H24 | 70.0° | 180.0° |
| H22 | C14 | C15 | H25 | 49.1° | 60.0° |
| H23 | C14 | C15 | N6 | 50.4° | 59.9° |
| H23 | C14 | C15 | H24 | 170.7° | 60.1° |
| H23 | C14 | C15 | H25 | 70.1° | 180.0° |
| N6 | C15 | H24 | H25 | 118.7° | 120.0° |
| C15 | N6 | C16 | H26 | 180.0° | 179.9° |
| C15 | N6 | C16 | N7 | 0.1° | 0.1° |
| C15 | N6 | C16 | N8 | 180.0° | 180.0° |
| H24 | C15 | N6 | C16 | 20.7° | 60.0° |
| H24 | C15 | N6 | H26 | 159.3° | 120.0° |
| H25 | C15 | N6 | C16 | 139.9° | 59.9° |
| H25 | C15 | N6 | H26 | 40.1° | 120.0° |
| N6 | C16 | N7 | N8 | 179.9° | 179.9° |
| N6 | C16 | N7 | H27 | 179.9° | 0.0° |
| N6 | C16 | N7 | H28 | 0.1° | 179.9° |
| N6 | C16 | N8 | H29 | 180.0° | 0.0° |
| N6 | C16 | N8 | H30 | 0.0° | 180.0° |
| H26 | N6 | C16 | N7 | 179.9° | 180.0° |
| H26 | N6 | C16 | N8 | 0.0° | 0.1° |
| C16 | N7 | H27 | H28 | 180.0° | 179.9° |
| N7 | C16 | N8 | H29 | 0.0° | 180.0° |
| N7 | C16 | N8 | H30 | 180.0° | 0.1° |
| N8 | C16 | N7 | H27 | 0.0° | 179.9° |
| N8 | C16 | N7 | H28 | 180.0° | 0.0° |
| C16 | N8 | H29 | H30 | 180.0° | 180.0° |
| C17 | N9 | H31 | C12 | 180.0° | 180.0° |
| N9 | C17 | C18 | C19 | 122.4° | 120.1° |
| N9 | C17 | C18 | H32 | 120.2° | 120.0° |
| N9 | C17 | C19 | H32 | 121.3° | 120.0° |
| N9 | C17 | C18 | O7 | 40.2° | 0.0° |
| N9 | C17 | C19 | C20 | 62.3° | 64.9° |
| N9 | C17 | C19 | H33 | 58.7° | 55.0° |
| N9 | C17 | C19 | H34 | 176.7° | 175.0° |
| N9 | C17 | C18 | N12 | 141.0° | 180.0° |
| H31 | N9 | C17 | C18 | 98.2° | 25.0° |
| H31 | N9 | C17 | C19 | 21.2° | 95.0° |
| H31 | N9 | C17 | H32 | 142.0° | 145.0° |
| C18 | C17 | C19 | H32 | 117.5° | 120.0° |
| C17 | C18 | O7 | N12 | 178.7° | 180.0° |
| C18 | C17 | C19 | C20 | 176.6° | 175.0° |
| C18 | C17 | C19 | H33 | 62.4° | 65.1° |
| C18 | C17 | C19 | H34 | 55.5° | 54.9° |
| C17 | C18 | N12 | C34 | 176.0° | 180.0° |
| C17 | C18 | N12 | H54 | 4.0° | 0.1° |
| C18 | C17 | N9 | C12 | 81.8° | 155.0° |
| C19 | C17 | C18 | O7 | 82.2° | 120.0° |
| C17 | C19 | C20 | H33 | 121.0° | 119.9° |
| C17 | C19 | C20 | H34 | 121.0° | 120.1° |
| C17 | C19 | H33 | H34 | 116.9° | 120.0° |
| C17 | C19 | C20 | C21 | 8.9° | 95.0° |
| C17 | C19 | C20 | C22 | 170.8° | 84.7° |
| C19 | C17 | N9 | C12 | 158.8° | 85.0° |
| C19 | C17 | C18 | N12 | 96.6° | 59.9° |
| H32 | C17 | C18 | O7 | 160.4° | 120.0° |
| H32 | C17 | C19 | C20 | 59.1° | 55.0° |
| H32 | C17 | C19 | H33 | 179.9° | 175.0° |
| H32 | C17 | C19 | H34 | 62.0° | 65.1° |
| H32 | C17 | N9 | C12 | 38.0° | 35.0° |
| H32 | C17 | C18 | N12 | 20.8° | 60.0° |
| O7 | C18 | N12 | C34 | 2.8° | 0.1° |
| O7 | C18 | N12 | H54 | 177.2° | 180.0° |
| C20 | C19 | H33 | H34 | 116.9° | 120.0° |
| C19 | C20 | C21 | C22 | 179.8° | 179.8° |
| C19 | C20 | C21 | N10 | 179.7° | 180.0° |
| C19 | C20 | C21 | H35 | 0.3° | 0.0° |
| C19 | C20 | C22 | C23 | 179.6° | 180.0° |
| C19 | C20 | C22 | C24 | 0.2° | 0.0° |
| H33 | C19 | C20 | C21 | 129.9° | 145.0° |
| H33 | C19 | C20 | C22 | 49.8° | 35.2° |
| H34 | C19 | C20 | C21 | 112.1° | 25.0° |
| H34 | C19 | C20 | C22 | 68.2° | 155.2° |
| C20 | C21 | N10 | H35 | 180.0° | 180.0° |
| C21 | C20 | C22 | C23 | 0.1° | 0.2° |
| C21 | C20 | C22 | C24 | 179.9° | 179.7° |
| C20 | C21 | N10 | C23 | 0.1° | 0.2° |
| C20 | C21 | N10 | H36 | 179.9° | 180.0° |
| C22 | C20 | C21 | N10 | 0.0° | 0.2° |
| C22 | C20 | C21 | H35 | 180.0° | 179.8° |
| C20 | C22 | C23 | C24 | 179.8° | 180.0° |
| C20 | C22 | C23 | N10 | 0.2° | 0.1° |
| C20 | C22 | C23 | C25 | 180.0° | 180.0° |
| C20 | C22 | C24 | C26 | 179.8° | 180.0° |
| C20 | C22 | C24 | H37 | 0.2° | 0.0° |
| C21 | N10 | C23 | C22 | 0.2° | 0.0° |
| C21 | N10 | C23 | H36 | 180.0° | 179.8° |
| C21 | N10 | C23 | C25 | 180.0° | 179.8° |
| H35 | C21 | N10 | C23 | 179.9° | 179.8° |
| H35 | C21 | N10 | H36 | 0.1° | 0.0° |
| C22 | C23 | N10 | C25 | 179.8° | 179.8° |
| C22 | C23 | N10 | H36 | 179.8° | 179.8° |
| C23 | C22 | C24 | C26 | 0.0° | 0.1° |
| C23 | C22 | C24 | H37 | 180.0° | 180.0° |
| C22 | C23 | C25 | C27 | 0.2° | 0.1° |
| C22 | C23 | C25 | H38 | 179.8° | 180.0° |
| C24 | C22 | C23 | N10 | 180.0° | 179.8° |
| C24 | C22 | C23 | C25 | 0.1° | 0.0° |
| C22 | C24 | C26 | H37 | 180.0° | 180.0° |
| C22 | C24 | C26 | C27 | 0.0° | 0.1° |
| C22 | C24 | C26 | H39 | 180.0° | 180.0° |
| N10 | C23 | C25 | C27 | 180.0° | 179.8° |
| N10 | C23 | C25 | H38 | 0.0° | 0.2° |
| H36 | N10 | C23 | C25 | 0.0° | 0.0° |
| C23 | C25 | C27 | H38 | 180.0° | 179.9° |
| C23 | C25 | C27 | C26 | 0.2° | 0.1° |
| C23 | C25 | C27 | H40 | 179.8° | 180.0° |
| C24 | C26 | C27 | C25 | 0.1° | 0.2° |
| C24 | C26 | C27 | H39 | 180.0° | 179.9° |
| C24 | C26 | C27 | H40 | 179.9° | 179.9° |
| H37 | C24 | C26 | C27 | 180.0° | 179.9° |
| H37 | C24 | C26 | H39 | 0.0° | 0.0° |
| C25 | C27 | C26 | H40 | 180.0° | 179.9° |
| C25 | C27 | C26 | H39 | 179.9° | 180.0° |
| H38 | C25 | C27 | C26 | 179.8° | 179.9° |
| H38 | C25 | C27 | H40 | 0.2° | 0.1° |
| H39 | C26 | C27 | H40 | 0.1° | 0.1° |
| O8 | C28 | C29 | N11 | 173.1° | 179.9° |
| O8 | C28 | C29 | H41 | 0.0° | 89.9° |
| O8 | C28 | C29 | H42 | 120.0° | 150.0° |
| O8 | C28 | C29 | H43 | 120.0° | 30.0° |
| O8 | C28 | N11 | C30 | 179.0° | 0.1° |
| O8 | C28 | N11 | H44 | 1.0° | 180.0° |
| C28 | C29 | H41 | H42 | 120.0° | 120.0° |
| C28 | C29 | H41 | H43 | 120.0° | 119.9° |
| C28 | C29 | H42 | H43 | 120.0° | 120.0° |
| C29 | C28 | N11 | C30 | 6.0° | 180.0° |
| C29 | C28 | N11 | H44 | 174.0° | 0.1° |
| N11 | C28 | C29 | H41 | 173.1° | 90.0° |
| N11 | C28 | C29 | H42 | 53.1° | 30.1° |
| N11 | C28 | C29 | H43 | 66.9° | 150.1° |
| C28 | N11 | C30 | H44 | 180.0° | 179.9° |
| C28 | N11 | C30 | C31 | 134.8° | 179.9° |
| C28 | N11 | C30 | H45 | 15.0° | 60.0° |
| C28 | N11 | C30 | H46 | 105.4° | 59.9° |
| H41 | C29 | H42 | H43 | 120.0° | 120.0° |
| N11 | C30 | C31 | H45 | 119.8° | 120.0° |
| N11 | C30 | C31 | H46 | 119.8° | 120.0° |
| N11 | C30 | H45 | H46 | 120.6° | 119.9° |
| N11 | C30 | C31 | C32 | 57.2° | 180.0° |
| N11 | C30 | C31 | H47 | 177.1° | 60.0° |
| N11 | C30 | C31 | H48 | 62.8° | 60.0° |
| H44 | N11 | C30 | C31 | 45.2° | 0.0° |
| H44 | N11 | C30 | H45 | 165.0° | 120.1° |
| H44 | N11 | C30 | H46 | 74.6° | 120.0° |
| C31 | C30 | H45 | H46 | 120.6° | 120.0° |
| C30 | C31 | C32 | H47 | 120.0° | 120.0° |
| C30 | C31 | C32 | H48 | 120.0° | 120.0° |
| C30 | C31 | H47 | H48 | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 179.0° | 180.0° |
| C30 | C31 | C32 | H49 | 61.0° | 60.0° |
| C30 | C31 | C32 | H50 | 58.9° | 60.0° |
| H45 | C30 | C31 | C32 | 62.6° | 60.0° |
| H45 | C30 | C31 | H47 | 57.4° | 180.0° |
| H45 | C30 | C31 | H48 | 177.4° | 60.0° |
| H46 | C30 | C31 | C32 | 177.0° | 60.0° |
| H46 | C30 | C31 | H47 | 63.0° | 60.0° |
| H46 | C30 | C31 | H48 | 57.0° | 180.0° |
| C32 | C31 | H47 | H48 | 120.0° | 120.0° |
| C31 | C32 | C33 | H49 | 120.1° | 120.0° |
| C31 | C32 | C33 | H50 | 120.0° | 120.0° |
| C31 | C32 | H49 | H50 | 119.8° | 120.0° |
| C31 | C32 | C33 | C34 | 162.8° | 180.0° |
| C31 | C32 | C33 | H51 | 76.5° | 60.1° |
| C31 | C32 | C33 | H52 | 42.2° | 60.1° |
| H47 | C31 | C32 | C33 | 59.0° | 60.0° |
| H47 | C31 | C32 | H49 | 179.0° | 180.0° |
| H47 | C31 | C32 | H50 | 61.0° | 60.0° |
| H48 | C31 | C32 | C33 | 61.0° | 60.0° |
| H48 | C31 | C32 | H49 | 59.0° | 60.0° |
| H48 | C31 | C32 | H50 | 178.9° | 180.0° |
| C33 | C32 | H49 | H50 | 119.8° | 120.0° |
| C32 | C33 | C34 | H51 | 120.7° | 120.0° |
| C32 | C33 | C34 | H52 | 120.7° | 120.0° |
| C32 | C33 | H51 | H52 | 118.0° | 120.1° |
| C32 | C33 | C34 | N12 | 163.2° | 65.0° |
| C32 | C33 | C34 | C35 | 75.4° | 175.0° |
| C32 | C33 | C34 | H53 | 43.6° | 55.0° |
| H49 | C32 | C33 | C34 | 42.7° | 60.0° |
| H49 | C32 | C33 | H51 | 163.4° | 180.0° |
| H49 | C32 | C33 | H52 | 77.9° | 59.9° |
| H50 | C32 | C33 | C34 | 77.2° | 60.0° |
| H50 | C32 | C33 | H51 | 43.5° | 60.0° |
| H50 | C32 | C33 | H52 | 162.2° | 179.9° |
| C34 | C33 | H51 | H52 | 117.9° | 120.0° |
| C33 | C34 | N12 | C35 | 120.4° | 120.0° |
| C33 | C34 | N12 | H53 | 119.0° | 120.1° |
| C33 | C34 | C35 | H53 | 119.1° | 120.0° |
| C33 | C34 | N12 | H54 | 5.4° | 94.9° |
| C33 | C34 | C35 | O9 | 84.6° | 120.0° |
| C33 | C34 | N12 | C18 | 174.6° | 85.0° |
| C33 | C34 | C35 | N13 | 95.9° | 60.0° |
| H51 | C33 | C34 | N12 | 76.1° | 175.0° |
| H51 | C33 | C34 | C35 | 45.3° | 55.0° |
| H51 | C33 | C34 | H53 | 164.3° | 65.0° |
| H52 | C33 | C34 | N12 | 42.6° | 55.0° |
| H52 | C33 | C34 | C35 | 164.0° | 65.0° |
| H52 | C33 | C34 | H53 | 77.1° | 175.0° |
| N12 | C34 | C35 | H53 | 121.2° | 120.0° |
| C34 | N12 | H54 | C18 | 180.0° | 179.9° |
| N12 | C34 | C35 | O9 | 35.1° | 0.0° |
| N12 | C34 | C35 | N13 | 144.4° | 180.0° |
| C35 | C34 | N12 | H54 | 115.0° | 25.1° |
| C34 | C35 | O9 | N13 | 179.5° | 179.9° |
| C34 | C35 | N13 | C36 | 175.1° | 180.0° |
| C34 | C35 | N13 | H55 | 4.9° | 0.1° |
| C35 | C34 | N12 | C18 | 65.0° | 155.0° |
| H53 | C34 | N12 | H54 | 124.4° | 145.0° |
| H53 | C34 | C35 | O9 | 156.4° | 119.9° |
| H53 | C34 | N12 | C18 | 55.6° | 35.1° |
| H53 | C34 | C35 | N13 | 23.2° | 60.0° |
| O9 | C35 | N13 | C36 | 5.4° | 0.1° |
| O9 | C35 | N13 | H55 | 174.6° | 180.0° |
| C36 | N13 | H55 | C35 | 180.0° | 179.9° |
| N13 | C36 | C37 | C38 | 122.2° | 120.0° |
| N13 | C36 | C37 | H56 | 120.0° | 120.0° |
| N13 | C36 | C38 | H56 | 120.3° | 120.0° |
| N13 | C36 | C37 | O10 | 44.5° | 5.3° |
| N13 | C36 | C38 | O11 | 61.5° | 61.6° |
| N13 | C36 | C38 | C39 | 177.8° | 58.4° |
| N13 | C36 | C38 | H57 | 58.3° | 178.4° |
| N13 | C36 | C37 | N14 | 134.9° | 174.8° |
| H55 | N13 | C36 | C37 | 48.4° | 24.9° |
| H55 | N13 | C36 | C38 | 72.2° | 95.0° |
| H55 | N13 | C36 | H56 | 168.0° | 144.9° |
| C37 | C36 | C38 | H56 | 118.0° | 120.0° |
| C36 | C37 | O10 | N14 | 179.3° | 179.9° |
| C37 | C36 | C38 | O11 | 176.8° | 58.4° |
| C37 | C36 | C38 | C39 | 56.1° | 178.4° |
| C37 | C36 | C38 | H57 | 63.4° | 61.6° |
| C36 | C37 | N14 | C40 | 177.8° | 175.0° |
| C36 | C37 | N14 | H62 | 2.2° | 4.9° |
| C37 | C36 | N13 | C35 | 131.6° | 155.0° |
| C38 | C36 | C37 | O10 | 77.8° | 114.7° |
| C36 | C38 | O11 | C39 | 121.7° | 120.0° |
| C36 | C38 | O11 | H57 | 118.9° | 120.0° |
| C36 | C38 | C39 | H57 | 119.5° | 120.0° |
| C36 | C38 | O11 | H58 | 180.0° | 60.1° |
| C36 | C38 | C39 | H59 | 180.0° | 66.0° |
| C36 | C38 | C39 | H60 | 60.0° | 173.9° |
| C36 | C38 | C39 | H61 | 60.0° | 53.9° |
| C38 | C36 | N13 | C35 | 107.8° | 85.1° |
| C38 | C36 | C37 | N14 | 102.9° | 65.2° |
| H56 | C36 | C37 | O10 | 164.4° | 125.3° |
| H56 | C36 | C38 | O11 | 58.9° | 178.4° |
| H56 | C36 | C38 | C39 | 61.9° | 61.6° |
| H56 | C36 | C38 | H57 | 178.7° | 58.4° |
| H56 | C36 | N13 | C35 | 12.0° | 35.0° |
| H56 | C36 | C37 | N14 | 15.0° | 54.8° |
| O10 | C37 | N14 | C40 | 2.8° | 5.1° |
| O10 | C37 | N14 | H62 | 177.2° | 175.0° |
| O11 | C38 | C39 | H57 | 120.2° | 120.0° |
| O11 | C38 | C39 | H59 | 59.6° | 54.0° |
| O11 | C38 | C39 | H60 | 179.6° | 66.1° |
| O11 | C38 | C39 | H61 | 60.4° | 173.9° |
| C39 | C38 | O11 | H58 | 58.3° | 179.9° |
| C38 | C39 | H59 | H60 | 120.0° | 120.1° |
| C38 | C39 | H59 | H61 | 120.0° | 120.0° |
| C38 | C39 | H60 | H61 | 120.0° | 120.0° |
| H57 | C38 | O11 | H58 | 61.1° | 59.9° |
| H57 | C38 | C39 | H59 | 60.5° | 174.0° |
| H57 | C38 | C39 | H60 | 59.4° | 53.9° |
| H57 | C38 | C39 | H61 | 179.5° | 66.1° |
| H59 | C39 | H60 | H61 | 120.0° | 119.9° |
| C40 | N14 | H62 | C37 | 180.0° | 179.9° |
| N14 | C40 | C41 | C42 | 121.3° | 120.0° |
| N14 | C40 | C41 | H63 | 120.5° | 120.0° |
| N14 | C40 | C42 | H63 | 120.5° | 120.0° |
| N14 | C40 | C41 | O12 | 42.2° | 0.0° |
| N14 | C40 | C42 | O13 | 65.8° | 65.0° |
| N14 | C40 | C42 | H64 | 54.5° | 175.0° |
| N14 | C40 | C42 | H65 | 173.9° | 55.1° |
| N14 | C40 | C41 | N15 | 138.3° | 180.0° |
| H62 | N14 | C40 | C41 | 51.4° | 25.0° |
| H62 | N14 | C40 | C42 | 68.9° | 94.9° |
| H62 | N14 | C40 | H63 | 171.3° | 145.1° |
| C41 | C40 | C42 | H63 | 118.3° | 120.0° |
| C40 | C41 | O12 | N15 | 179.4° | 180.0° |
| C41 | C40 | C42 | O13 | 173.0° | 55.0° |
| C41 | C40 | C42 | H64 | 66.8° | 65.0° |
| C41 | C40 | C42 | H65 | 52.7° | 175.0° |
| C40 | C41 | N15 | C43 | 172.0° | 175.0° |
| C40 | C41 | N15 | H67 | 8.0° | 5.1° |
| C41 | C40 | N14 | C37 | 128.6° | 155.0° |
| C42 | C40 | C41 | O12 | 79.1° | 120.0° |
| C40 | C42 | O13 | H64 | 120.3° | 120.0° |
| C40 | C42 | O13 | H65 | 120.3° | 120.0° |
| C40 | C42 | H64 | H65 | 119.1° | 120.0° |
| C40 | C42 | O13 | H66 | 180.0° | 180.0° |
| C42 | C40 | N14 | C37 | 111.1° | 85.0° |
| C42 | C40 | C41 | N15 | 100.4° | 60.0° |
| H63 | C40 | C41 | O12 | 162.7° | 120.0° |
| H63 | C40 | C42 | O13 | 54.7° | 175.0° |
| H63 | C40 | C42 | H64 | 175.0° | 55.0° |
| H63 | C40 | C42 | H65 | 65.6° | 65.0° |
| H63 | C40 | N14 | C37 | 8.7° | 35.0° |
| H63 | C40 | C41 | N15 | 17.8° | 60.0° |
| O12 | C41 | N15 | C43 | 7.4° | 5.0° |
| O12 | C41 | N15 | H67 | 172.5° | 174.9° |
| O13 | C42 | H64 | H65 | 119.1° | 120.0° |
| H64 | C42 | O13 | H66 | 59.7° | 60.0° |
| H65 | C42 | O13 | H66 | 59.7° | 59.9° |
| C43 | N15 | H67 | C41 | 180.0° | 179.9° |
| N15 | C43 | C44 | C45 | 119.5° | 120.0° |
| N15 | C43 | C44 | H68 | 120.6° | 120.0° |
| N15 | C43 | C45 | H68 | 122.1° | 120.0° |
| N15 | C43 | C44 | O14 | 53.1° | 14.4° |
| N15 | C43 | C45 | C46 | 56.0° | 173.2° |
| N15 | C43 | C45 | C47 | 178.6° | 66.8° |
| N15 | C43 | C45 | H69 | 62.7° | 53.2° |
| N15 | C43 | C44 | N16 | 125.6° | 165.6° |
| H67 | N15 | C43 | C44 | 89.3° | 27.9° |
| H67 | N15 | C43 | C45 | 29.3° | 92.1° |
| H67 | N15 | C43 | H68 | 150.7° | 147.9° |
| C44 | C43 | C45 | H68 | 120.1° | 120.0° |
| C43 | C44 | O14 | N16 | 178.7° | 180.0° |
| C44 | C43 | C45 | C46 | 173.8° | 66.8° |
| C44 | C43 | C45 | C47 | 63.6° | 53.2° |
| C44 | C43 | C45 | H69 | 55.1° | 173.2° |
| C43 | C44 | N16 | C49 | 173.8° | 175.5° |
| C43 | C44 | N16 | H78 | 6.2° | 4.5° |
| C44 | C43 | N15 | C41 | 90.7° | 152.1° |
| C45 | C43 | C44 | O14 | 66.3° | 105.6° |
| C43 | C45 | C46 | C47 | 123.0° | 120.0° |
| C43 | C45 | C46 | H69 | 118.5° | 120.0° |
| C43 | C45 | C47 | H69 | 118.5° | 120.0° |
| C43 | C45 | C46 | C48 | 154.1° | 66.9° |
| C43 | C45 | C46 | H70 | 85.3° | 173.1° |
| C43 | C45 | C46 | H71 | 33.6° | 53.2° |
| C43 | C45 | C47 | H72 | 180.0° | 55.6° |
| C43 | C45 | C47 | H73 | 60.0° | 175.6° |
| C43 | C45 | C47 | H74 | 60.0° | 64.4° |
| C45 | C43 | N15 | C41 | 150.7° | 87.9° |
| C45 | C43 | C44 | N16 | 114.9° | 74.4° |
| H68 | C43 | C44 | O14 | 173.7° | 134.4° |
| H68 | C43 | C45 | C46 | 66.1° | 53.2° |
| H68 | C43 | C45 | C47 | 56.5° | 173.2° |
| H68 | C43 | C45 | H69 | 175.3° | 66.9° |
| H68 | C43 | N15 | C41 | 29.3° | 32.0° |
| H68 | C43 | C44 | N16 | 5.1° | 45.6° |
| O14 | C44 | N16 | C49 | 5.0° | 4.5° |
| O14 | C44 | N16 | H78 | 175.0° | 175.5° |
| C46 | C45 | C47 | H69 | 118.3° | 120.0° |
| C45 | C46 | C48 | H70 | 120.6° | 120.0° |
| C45 | C46 | C48 | H71 | 120.6° | 120.0° |
| C45 | C46 | H70 | H71 | 118.4° | 120.0° |
| C46 | C45 | C47 | H72 | 56.8° | 64.4° |
| C46 | C45 | C47 | H73 | 176.8° | 55.6° |
| C46 | C45 | C47 | H74 | 63.2° | 175.6° |
| C45 | C46 | C48 | H75 | 180.0° | 65.5° |
| C45 | C46 | C48 | H76 | 60.0° | 54.6° |
| C45 | C46 | C48 | H77 | 60.0° | 174.6° |
| C47 | C45 | C46 | C48 | 82.9° | 173.2° |
| C47 | C45 | C46 | H70 | 37.7° | 53.2° |
| C47 | C45 | C46 | H71 | 156.6° | 66.8° |
| C45 | C47 | H72 | H73 | 120.0° | 120.0° |
| C45 | C47 | H72 | H74 | 120.0° | 120.0° |
| C45 | C47 | H73 | H74 | 120.0° | 120.0° |
| H69 | C45 | C46 | C48 | 35.6° | 53.1° |
| H69 | C45 | C46 | H70 | 156.2° | 66.9° |
| H69 | C45 | C46 | H71 | 84.9° | 173.2° |
| H69 | C45 | C47 | H72 | 61.5° | 175.6° |
| H69 | C45 | C47 | H73 | 58.4° | 64.4° |
| H69 | C45 | C47 | H74 | 178.5° | 55.6° |
| C48 | C46 | H70 | H71 | 118.3° | 120.0° |
| C46 | C48 | H75 | H76 | 120.0° | 120.0° |
| C46 | C48 | H75 | H77 | 120.0° | 119.9° |
| C46 | C48 | H76 | H77 | 120.0° | 119.9° |
| H70 | C46 | C48 | H75 | 59.5° | 174.6° |
| H70 | C46 | C48 | H76 | 179.5° | 65.4° |
| H70 | C46 | C48 | H77 | 60.5° | 54.6° |
| H71 | C46 | C48 | H75 | 59.4° | 54.5° |
| H71 | C46 | C48 | H76 | 60.6° | 174.6° |
| H71 | C46 | C48 | H77 | 179.4° | 65.4° |
| H72 | C47 | H73 | H74 | 120.0° | 120.0° |
| H75 | C48 | H76 | H77 | 120.0° | 120.1° |
| C49 | N16 | H78 | C44 | 180.0° | 179.9° |
| N16 | C49 | C50 | C51 | 123.8° | 120.0° |
| N16 | C49 | C50 | H79 | 119.7° | 119.9° |
| N16 | C49 | C51 | H79 | 119.4° | 120.0° |
| N16 | C49 | C50 | O15 | 9.2° | 0.0° |
| N16 | C49 | C50 | O16 | 170.2° | 180.0° |
| N16 | C49 | C51 | C52 | 61.7° | 175.0° |
| N16 | C49 | C51 | C53 | 61.2° | 65.0° |
| N16 | C49 | C51 | H80 | 179.6° | 55.0° |
| H78 | N16 | C49 | C50 | 40.2° | 95.1° |
| H78 | N16 | C49 | C51 | 81.7° | 25.0° |
| H78 | N16 | C49 | H79 | 159.4° | 145.0° |
| C50 | C49 | C51 | H79 | 116.6° | 120.0° |
| C49 | C50 | O15 | O16 | 179.5° | 180.0° |
| C50 | C49 | C51 | C52 | 62.3° | 65.0° |
| C50 | C49 | C51 | C53 | 174.7° | 55.0° |
| C50 | C49 | C51 | H80 | 56.3° | 175.0° |
| C49 | C50 | O16 | H89 | 179.5° | 180.0° |
| C50 | C49 | N16 | C44 | 139.8° | 85.0° |
| C51 | C49 | C50 | O15 | 114.5° | 120.0° |
| C51 | C49 | C50 | O16 | 66.0° | 60.0° |
| C49 | C51 | C52 | C53 | 123.0° | 120.0° |
| C49 | C51 | C52 | H80 | 118.7° | 120.1° |
| C49 | C51 | C53 | H80 | 118.3° | 120.1° |
| C49 | C51 | C52 | C54 | 173.6° | 175.0° |
| C49 | C51 | C52 | H81 | 65.8° | 65.0° |
| C49 | C51 | C52 | H82 | 53.1° | 55.1° |
| C49 | C51 | C53 | H83 | 180.0° | 59.9° |
| C49 | C51 | C53 | H84 | 60.0° | 180.0° |
| C49 | C51 | C53 | H85 | 60.0° | 60.0° |
| C51 | C49 | N16 | C44 | 98.3° | 155.0° |
| H79 | C49 | C50 | O15 | 129.0° | 120.0° |
| H79 | C49 | C50 | O16 | 50.5° | 60.0° |
| H79 | C49 | C51 | C52 | 178.9° | 55.0° |
| H79 | C49 | C51 | C53 | 58.1° | 175.0° |
| H79 | C49 | C51 | H80 | 60.2° | 65.0° |
| H79 | C49 | N16 | C44 | 20.6° | 34.9° |
| O15 | C50 | O16 | H89 | 0.0° | 0.0° |
| C52 | C51 | C53 | H80 | 118.3° | 120.0° |
| C51 | C52 | C54 | H81 | 120.6° | 120.0° |
| C51 | C52 | C54 | H82 | 120.6° | 120.0° |
| C51 | C52 | H81 | H82 | 118.2° | 120.0° |
| C52 | C51 | C53 | H83 | 56.6° | 60.0° |
| C52 | C51 | C53 | H84 | 176.7° | 60.0° |
| C52 | C51 | C53 | H85 | 63.4° | 180.0° |
| C51 | C52 | C54 | H86 | 180.0° | 180.0° |
| C51 | C52 | C54 | H87 | 60.0° | 60.0° |
| C51 | C52 | C54 | H88 | 60.0° | 60.1° |
| C53 | C51 | C52 | C54 | 63.4° | 65.0° |
| C53 | C51 | C52 | H81 | 57.2° | 55.0° |
| C53 | C51 | C52 | H82 | 176.1° | 175.0° |
| C51 | C53 | H83 | H84 | 120.0° | 120.1° |
| C51 | C53 | H83 | H85 | 120.0° | 119.9° |
| C51 | C53 | H84 | H85 | 120.0° | 119.9° |
| H80 | C51 | C52 | C54 | 55.0° | 55.0° |
| H80 | C51 | C52 | H81 | 175.5° | 175.0° |
| H80 | C51 | C52 | H82 | 65.6° | 65.0° |
| H80 | C51 | C53 | H83 | 61.7° | 180.0° |
| H80 | C51 | C53 | H84 | 58.4° | 59.9° |
| H80 | C51 | C53 | H85 | 178.3° | 60.0° |
| C54 | C52 | H81 | H82 | 118.3° | 120.0° |
| C52 | C54 | H86 | H87 | 120.0° | 120.0° |
| C52 | C54 | H86 | H88 | 120.0° | 120.0° |
| C52 | C54 | H87 | H88 | 120.0° | 120.1° |
| H81 | C52 | C54 | H86 | 59.5° | 60.0° |
| H81 | C52 | C54 | H87 | 179.5° | 180.0° |
| H81 | C52 | C54 | H88 | 60.5° | 60.0° |
| H82 | C52 | C54 | H86 | 59.4° | 60.0° |
| H82 | C52 | C54 | H87 | 60.6° | 60.0° |
| H82 | C52 | C54 | H88 | 179.4° | 180.0° |
| H83 | C53 | H84 | H85 | 120.0° | 120.0° |
| H86 | C54 | H87 | H88 | 120.0° | 119.9° |
