PRD_000507
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| N2 | C4 | sing | 1.47Å | 1.44Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | N3 | sing | 1.47Å | 1.45Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.37Å | 1.32Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | N4 | sing | 1.33Å | 1.32Å | |
| C9 | N5 | doub | 1.33Å | 1.32Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | C10 | sing | 1.47Å | 1.45Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.22Å | |
| C12 | O5 | sing | 1.43Å | 1.43Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| N7 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C18 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | N8 | sing | 1.46Å | 1.49Å | |
| N8 | O6 | sing | 1.42Å | 1.37Å | |
| N8 | C17 | sing | 1.35Å | 1.33Å | |
| C17 | O7 | doub | 1.21Å | 1.22Å | |
| C18 | O8 | doub | 1.21Å | 1.23Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.08Å | 1.08Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| N9 | C19 | sing | 1.47Å | 1.48Å | |
| N9 | H34 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | O9 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | N10 | sing | 1.47Å | 1.46Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| N10 | H44 | sing | 1.01Å | 1.00Å | |
| N10 | H45 | sing | 1.01Å | 1.00Å | |
| N11 | C25 | sing | 1.48Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C25 | C30 | sing | 1.51Å | 1.58Å | |
| C26 | C27 | sing | 1.53Å | 1.57Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C28 | N12 | sing | 1.47Å | 1.49Å | |
| N12 | O10 | sing | 1.42Å | 1.36Å | |
| N12 | C29 | sing | 1.35Å | 1.31Å | |
| C29 | O11 | doub | 1.21Å | 1.21Å | |
| C30 | O12 | doub | 1.21Å | 1.22Å | |
| N11 | H46 | sing | 0.97Å | 1.00Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.08Å | 1.08Å | |
| O10 | H55 | sing | 0.97Å | 0.95Å | |
| N13 | C31 | sing | 1.48Å | 1.48Å | |
| N13 | H56 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| C31 | C33 | sing | 1.53Å | 1.56Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | O13 | doub | 1.21Å | 1.23Å | |
| C33 | O14 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| O14 | H59 | sing | 0.97Å | 0.95Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| N14 | C35 | sing | 1.48Å | 1.47Å | |
| N14 | H63 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.55Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | O15 | doub | 1.21Å | 1.22Å | |
| C37 | O16 | sing | 1.43Å | 1.42Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| O16 | H66 | sing | 0.97Å | 0.95Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| O17 | C39 | doub | 1.21Å | 1.23Å | |
| C39 | O18 | sing | 1.34Å | 1.22Å | |
| C39 | C40 | sing | 1.51Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C41 | C42 | sing | 1.51Å | 1.54Å | |
| C42 | O19 | doub | 1.21Å | 1.23Å | |
| C42 | N15 | sing | 1.35Å | 1.34Å | |
| N15 | C43 | sing | 1.40Å | 1.35Å | |
| C43 | C44 | doub | 1.36Å | 1.42Å | Aromatic |
| C43 | C53 | sing | 1.42Å | 1.43Å | Aromatic |
| C44 | C45 | sing | 1.41Å | 1.42Å | Aromatic |
| C45 | C46 | sing | 1.41Å | 1.43Å | Aromatic |
| C45 | C50 | doub | 1.41Å | 1.44Å | Aromatic |
| C46 | C47 | doub | 1.36Å | 1.43Å | Aromatic |
| C47 | O20 | sing | 1.36Å | 1.32Å | |
| C47 | C48 | sing | 1.40Å | 1.42Å | Aromatic |
| C48 | O21 | sing | 1.36Å | 1.32Å | |
| C48 | C49 | doub | 1.37Å | 1.43Å | Aromatic |
| C49 | C50 | sing | 1.41Å | 1.44Å | Aromatic |
| C50 | N16 | sing | 1.35Å | 1.44Å | Aromatic |
| N16 | C51 | sing | 1.47Å | 1.41Å | |
| N16 | C53 | doub | 1.31Å | 1.42Å | Aromatic |
| C51 | C52 | sing | 1.51Å | 1.54Å | |
| C51 | C55 | sing | 1.53Å | 1.53Å | |
| C52 | O22 | doub | 1.21Å | 1.22Å | |
| C53 | N17 | sing | 1.39Å | 1.34Å | |
| N17 | C54 | sing | 1.46Å | 1.48Å | |
| C54 | C55 | sing | 1.53Å | 1.55Å | |
| O18 | H70 | sing | 0.97Å | 0.95Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| N15 | H75 | sing | 0.97Å | 1.00Å | |
| C44 | H76 | sing | 1.08Å | 1.08Å | |
| C46 | H77 | sing | 1.08Å | 1.08Å | |
| O20 | H78 | sing | 0.97Å | 0.95Å | |
| O21 | H79 | sing | 0.97Å | 0.95Å | |
| C49 | H80 | sing | 1.08Å | 1.08Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| C55 | H82 | sing | 1.09Å | 1.10Å | |
| C55 | H83 | sing | 1.09Å | 1.10Å | |
| N17 | H84 | sing | 1.01Å | 1.00Å | |
| C54 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.31Å | |
| C5 | N6 | sing | 1.35Å | 1.33Å | |
| C11 | N7 | sing | 1.35Å | 1.33Å | |
| C18 | N9 | sing | 1.35Å | 1.35Å | |
| C20 | N11 | sing | 1.37Å | 1.31Å | |
| C30 | N13 | sing | 1.36Å | 1.34Å | |
| N1 | C52 | sing | 1.35Å | 1.29Å | |
| C32 | N14 | sing | 1.37Å | 1.33Å | |
| N10 | C36 | sing | 1.40Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.1° | 120.0° |
| N1 | C1 | C2 | 109.6° | 109.5° |
| N1 | C1 | C3 | 108.7° | 109.4° |
| N1 | C1 | H2 | 109.8° | 109.5° |
| C1 | N1 | C52 | 121.7° | 120.0° |
| H1 | N1 | C52 | 119.2° | 120.0° |
| C2 | C1 | C3 | 111.4° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C1 | C2 | O1 | 122.7° | 120.0° |
| C1 | C2 | N2 | 114.5° | 120.0° |
| C3 | C1 | H2 | 108.7° | 109.4° |
| C1 | C3 | O2 | 110.4° | 109.4° |
| C1 | C3 | H3 | 109.2° | 109.5° |
| C1 | C3 | H4 | 109.2° | 109.4° |
| O1 | C2 | N2 | 122.9° | 120.0° |
| O2 | C3 | H3 | 109.3° | 109.5° |
| O2 | C3 | H4 | 109.2° | 109.5° |
| C3 | O2 | H5 | 109.5° | 113.9° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C4 | N2 | H6 | 119.4° | 120.0° |
| N2 | C4 | C5 | 109.0° | 109.4° |
| N2 | C4 | C6 | 112.6° | 109.5° |
| N2 | C4 | H7 | 109.0° | 109.5° |
| C4 | N2 | C2 | 121.2° | 119.9° |
| H6 | N2 | C2 | 119.4° | 120.0° |
| C5 | C4 | C6 | 110.9° | 109.5° |
| C5 | C4 | H7 | 107.6° | 109.5° |
| C4 | C5 | O3 | 121.0° | 120.0° |
| C4 | C5 | N6 | 118.3° | 120.0° |
| C6 | C4 | H7 | 107.6° | 109.5° |
| C4 | C6 | C7 | 112.0° | 109.5° |
| C4 | C6 | H8 | 108.8° | 109.5° |
| C4 | C6 | H9 | 108.9° | 109.5° |
| O3 | C5 | N6 | 120.7° | 120.0° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C7 | C6 | H9 | 108.8° | 109.5° |
| C6 | C7 | C8 | 108.9° | 109.5° |
| C6 | C7 | H10 | 109.6° | 109.5° |
| C6 | C7 | H11 | 109.6° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| C8 | C7 | H10 | 109.6° | 109.5° |
| C8 | C7 | H11 | 109.6° | 109.5° |
| C7 | C8 | N3 | 108.6° | 109.4° |
| C7 | C8 | H12 | 109.7° | 109.5° |
| C7 | C8 | H13 | 109.7° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| N3 | C8 | H12 | 109.7° | 109.5° |
| N3 | C8 | H13 | 109.7° | 109.5° |
| C8 | N3 | C9 | 120.6° | 119.9° |
| C8 | N3 | H14 | 119.7° | 120.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| C9 | N3 | H14 | 119.7° | 120.0° |
| N3 | C9 | N4 | 119.5° | 120.1° |
| N3 | C9 | N5 | 120.4° | 120.0° |
| N4 | C9 | N5 | 120.1° | 120.0° |
| C9 | N4 | H15 | 120.0° | 119.9° |
| C9 | N4 | H16 | 120.0° | 120.0° |
| C9 | N5 | H17 | 120.0° | 120.0° |
| C9 | N5 | H18 | 120.0° | 120.0° |
| H15 | N4 | H16 | 120.0° | 120.1° |
| H17 | N5 | H18 | 120.0° | 120.0° |
| C10 | N6 | H19 | 119.4° | 120.0° |
| N6 | C10 | C11 | 107.5° | 109.5° |
| N6 | C10 | C12 | 111.2° | 109.4° |
| N6 | C10 | H20 | 109.5° | 109.4° |
| C10 | N6 | C5 | 121.2° | 120.0° |
| H19 | N6 | C5 | 119.4° | 120.0° |
| C11 | C10 | C12 | 112.0° | 109.5° |
| C11 | C10 | H20 | 108.3° | 109.5° |
| C10 | C11 | O4 | 121.5° | 120.0° |
| C10 | C11 | N7 | 116.6° | 119.9° |
| C12 | C10 | H20 | 108.3° | 109.5° |
| C10 | C12 | O5 | 110.3° | 109.5° |
| C10 | C12 | H21 | 109.2° | 109.5° |
| C10 | C12 | H22 | 109.3° | 109.5° |
| O4 | C11 | N7 | 121.9° | 120.1° |
| O5 | C12 | H21 | 109.3° | 109.5° |
| O5 | C12 | H22 | 109.3° | 109.4° |
| C12 | O5 | H23 | 109.5° | 114.0° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| N7 | C13 | C14 | 109.2° | 109.4° |
| N7 | C13 | C18 | 109.3° | 109.5° |
| C13 | N7 | H24 | 117.8° | 120.0° |
| N7 | C13 | H25 | 109.4° | 109.5° |
| C13 | N7 | C11 | 124.3° | 119.9° |
| C14 | C13 | C18 | 112.4° | 109.5° |
| C13 | C14 | C15 | 109.7° | 109.5° |
| C14 | C13 | H25 | 108.2° | 109.5° |
| C13 | C14 | H26 | 109.4° | 109.5° |
| C13 | C14 | H27 | 109.4° | 109.5° |
| C13 | C18 | O8 | 120.9° | 120.0° |
| C18 | C13 | H25 | 108.2° | 109.5° |
| C13 | C18 | N9 | 117.2° | 120.0° |
| C14 | C15 | C16 | 111.8° | 109.5° |
| C15 | C14 | H26 | 109.5° | 109.5° |
| C15 | C14 | H27 | 109.4° | 109.5° |
| C14 | C15 | H28 | 108.9° | 109.5° |
| C14 | C15 | H29 | 108.9° | 109.5° |
| C15 | C16 | N8 | 112.9° | 109.5° |
| C16 | C15 | H28 | 108.9° | 109.4° |
| C16 | C15 | H29 | 108.9° | 109.5° |
| C15 | C16 | H30 | 108.6° | 109.5° |
| C15 | C16 | H31 | 108.6° | 109.4° |
| C16 | N8 | O6 | 120.9° | 120.0° |
| C16 | N8 | C17 | 119.2° | 120.0° |
| N8 | C16 | H30 | 108.6° | 109.5° |
| N8 | C16 | H31 | 108.6° | 109.5° |
| O6 | N8 | C17 | 119.9° | 120.0° |
| N8 | O6 | H33 | 109.5° | 114.0° |
| N8 | C17 | O7 | 122.0° | 120.0° |
| N8 | C17 | H32 | 119.0° | 120.0° |
| O7 | C17 | H32 | 119.0° | 120.0° |
| O8 | C18 | N9 | 121.8° | 120.0° |
| H24 | N7 | C11 | 117.8° | 120.0° |
| H26 | C14 | H27 | 109.4° | 109.4° |
| H28 | C15 | H29 | 109.4° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| C19 | N9 | H34 | 117.0° | 120.0° |
| N9 | C19 | C20 | 109.8° | 109.5° |
| N9 | C19 | C21 | 115.3° | 109.5° |
| N9 | C19 | H35 | 108.0° | 109.5° |
| C19 | N9 | C18 | 126.0° | 120.0° |
| H34 | N9 | C18 | 117.0° | 120.1° |
| C20 | C19 | C21 | 108.7° | 109.4° |
| C20 | C19 | H35 | 107.5° | 109.5° |
| C19 | C20 | O9 | 121.2° | 120.8° |
| C19 | C20 | N11 | 116.5° | 118.5° |
| C21 | C19 | H35 | 107.3° | 109.5° |
| C19 | C21 | C22 | 108.9° | 109.5° |
| C19 | C21 | H36 | 109.6° | 109.5° |
| C19 | C21 | H37 | 109.6° | 109.5° |
| O9 | C20 | N11 | 122.2° | 120.7° |
| C22 | C21 | H36 | 109.6° | 109.5° |
| C22 | C21 | H37 | 109.6° | 109.4° |
| C21 | C22 | C23 | 112.9° | 109.5° |
| C21 | C22 | H38 | 108.6° | 109.5° |
| C21 | C22 | H39 | 108.6° | 109.4° |
| H36 | C21 | H37 | 109.5° | 109.4° |
| C23 | C22 | H38 | 108.6° | 109.5° |
| C23 | C22 | H39 | 108.6° | 109.5° |
| C22 | C23 | C24 | 108.3° | 109.5° |
| C22 | C23 | H40 | 109.7° | 109.5° |
| C22 | C23 | H41 | 109.7° | 109.4° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| C24 | C23 | H40 | 109.7° | 109.5° |
| C24 | C23 | H41 | 109.8° | 109.4° |
| C23 | C24 | N10 | 109.5° | 109.5° |
| C23 | C24 | H42 | 109.5° | 109.5° |
| C23 | C24 | H43 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| N10 | C24 | H42 | 109.4° | 109.5° |
| N10 | C24 | H43 | 109.5° | 109.4° |
| C24 | N10 | H44 | 106.2° | 109.4° |
| C24 | N10 | H45 | 106.2° | 109.5° |
| C24 | N10 | C36 | 122.2° | 109.5° |
| H42 | C24 | H43 | 109.5° | 109.5° |
| H44 | N10 | H45 | 109.5° | 109.4° |
| H44 | N10 | C36 | 106.2° | 109.5° |
| H45 | N10 | C36 | 106.2° | 109.4° |
| N11 | C25 | C26 | 114.1° | 109.7° |
| N11 | C25 | C30 | 108.6° | 108.4° |
| C25 | N11 | H46 | 120.1° | 122.8° |
| N11 | C25 | H47 | 108.1° | 109.7° |
| C25 | N11 | C20 | 119.8° | 114.4° |
| C26 | C25 | C30 | 112.6° | 109.7° |
| C25 | C26 | C27 | 115.8° | 109.4° |
| C26 | C25 | H47 | 106.6° | 109.7° |
| C25 | C26 | H48 | 107.9° | 109.4° |
| C25 | C26 | H49 | 107.9° | 109.5° |
| C25 | C30 | O12 | 119.1° | 120.5° |
| C30 | C25 | H47 | 106.5° | 109.7° |
| C25 | C30 | N13 | 120.6° | 119.0° |
| C26 | C27 | C28 | 114.9° | 109.4° |
| C27 | C26 | H48 | 107.9° | 109.5° |
| C27 | C26 | H49 | 107.9° | 109.5° |
| C26 | C27 | H50 | 108.1° | 109.5° |
| C26 | C27 | H51 | 108.1° | 109.5° |
| C27 | C28 | N12 | 116.2° | 109.5° |
| C28 | C27 | H50 | 108.1° | 109.5° |
| C28 | C27 | H51 | 108.1° | 109.5° |
| C27 | C28 | H52 | 107.8° | 109.5° |
| C27 | C28 | H53 | 107.7° | 109.4° |
| C28 | N12 | O10 | 115.3° | 120.0° |
| C28 | N12 | C29 | 114.0° | 120.0° |
| N12 | C28 | H52 | 107.8° | 109.5° |
| N12 | C28 | H53 | 107.8° | 109.5° |
| O10 | N12 | C29 | 110.7° | 120.0° |
| N12 | O10 | H55 | 109.5° | 113.9° |
| N12 | C29 | O11 | 120.3° | 120.0° |
| N12 | C29 | H54 | 119.8° | 120.0° |
| O11 | C29 | H54 | 119.8° | 120.0° |
| O12 | C30 | N13 | 120.3° | 120.4° |
| H46 | N11 | C20 | 120.1° | 122.8° |
| H48 | C26 | H49 | 109.5° | 109.5° |
| H50 | C27 | H51 | 109.5° | 109.4° |
| H52 | C28 | H53 | 109.5° | 109.5° |
| C31 | N13 | H56 | 119.7° | 121.9° |
| N13 | C31 | C32 | 112.1° | 108.8° |
| N13 | C31 | C33 | 113.0° | 109.6° |
| N13 | C31 | H57 | 108.3° | 109.6° |
| C31 | N13 | C30 | 120.6° | 116.1° |
| H56 | N13 | C30 | 119.7° | 122.0° |
| C32 | C31 | C33 | 108.3° | 109.6° |
| C32 | C31 | H57 | 107.5° | 109.6° |
| C31 | C32 | O13 | 120.3° | 120.7° |
| C31 | C32 | N14 | 117.7° | 118.5° |
| C33 | C31 | H57 | 107.3° | 109.7° |
| C31 | C33 | O14 | 112.1° | 109.5° |
| C31 | C33 | C34 | 110.4° | 109.5° |
| C31 | C33 | H58 | 107.5° | 109.5° |
| O13 | C32 | N14 | 122.0° | 120.7° |
| O14 | C33 | C34 | 109.5° | 109.5° |
| O14 | C33 | H58 | 109.3° | 109.5° |
| C33 | O14 | H59 | 109.5° | 114.0° |
| C34 | C33 | H58 | 107.9° | 109.5° |
| C33 | C34 | H60 | 109.5° | 109.5° |
| C33 | C34 | H61 | 109.5° | 109.5° |
| C33 | C34 | H62 | 109.5° | 109.5° |
| H60 | C34 | H61 | 109.5° | 109.4° |
| H60 | C34 | H62 | 109.4° | 109.5° |
| H61 | C34 | H62 | 109.5° | 109.5° |
| C35 | N14 | H63 | 118.4° | 122.8° |
| N14 | C35 | C36 | 111.9° | 108.5° |
| N14 | C35 | C37 | 109.3° | 109.7° |
| N14 | C35 | H64 | 109.3° | 109.7° |
| C35 | N14 | C32 | 123.2° | 114.4° |
| H63 | N14 | C32 | 118.4° | 122.8° |
| C36 | C35 | C37 | 109.5° | 109.6° |
| C36 | C35 | H64 | 108.4° | 109.6° |
| C35 | C36 | O15 | 120.1° | 120.0° |
| C35 | C36 | N10 | 117.6° | 120.0° |
| C37 | C35 | H64 | 108.5° | 109.8° |
| C35 | C37 | O16 | 109.8° | 109.4° |
| C35 | C37 | C38 | 109.9° | 109.5° |
| C35 | C37 | H65 | 108.7° | 109.4° |
| O15 | C36 | N10 | 122.3° | 120.0° |
| O16 | C37 | C38 | 109.5° | 109.5° |
| O16 | C37 | H65 | 110.2° | 109.4° |
| C37 | O16 | H66 | 109.5° | 114.0° |
| C38 | C37 | H65 | 108.7° | 109.6° |
| C37 | C38 | H67 | 109.5° | 109.5° |
| C37 | C38 | H68 | 109.5° | 109.5° |
| C37 | C38 | H69 | 109.5° | 109.4° |
| H67 | C38 | H68 | 109.5° | 109.5° |
| H67 | C38 | H69 | 109.4° | 109.5° |
| H68 | C38 | H69 | 109.5° | 109.5° |
| O17 | C39 | O18 | 124.0° | 120.0° |
| O17 | C39 | C40 | 118.3° | 120.0° |
| O18 | C39 | C40 | 117.8° | 120.0° |
| C39 | O18 | H70 | 109.5° | 117.0° |
| C39 | C40 | C41 | 111.1° | 109.5° |
| C39 | C40 | H71 | 109.1° | 109.5° |
| C39 | C40 | H72 | 109.1° | 109.5° |
| C40 | C41 | C42 | 110.0° | 109.5° |
| C41 | C40 | H71 | 109.1° | 109.5° |
| C41 | C40 | H72 | 109.1° | 109.4° |
| C40 | C41 | H73 | 109.4° | 109.5° |
| C40 | C41 | H74 | 109.4° | 109.5° |
| C41 | C42 | O19 | 121.1° | 120.0° |
| C41 | C42 | N15 | 116.7° | 120.0° |
| C42 | C41 | H73 | 109.3° | 109.4° |
| C42 | C41 | H74 | 109.3° | 109.5° |
| O19 | C42 | N15 | 122.2° | 120.0° |
| C42 | N15 | C43 | 124.3° | 120.0° |
| C42 | N15 | H75 | 117.9° | 120.0° |
| N15 | C43 | C44 | 119.2° | 119.6° |
| N15 | C43 | C53 | 122.0° | 119.6° |
| C43 | N15 | H75 | 117.9° | 120.0° |
| C44 | C43 | C53 | 118.8° | 120.8° |
| C43 | C44 | C45 | 121.4° | 117.9° |
| C43 | C44 | H76 | 119.3° | 121.0° |
| C43 | C53 | N16 | 120.6° | 120.6° |
| C43 | C53 | N17 | 121.1° | 115.7° |
| C44 | C45 | C46 | 119.9° | 121.2° |
| C44 | C45 | C50 | 119.8° | 118.8° |
| C45 | C44 | H76 | 119.3° | 121.1° |
| C46 | C45 | C50 | 120.3° | 119.9° |
| C45 | C46 | C47 | 120.5° | 119.5° |
| C45 | C46 | H77 | 119.8° | 120.2° |
| C45 | C50 | C49 | 118.4° | 119.2° |
| C45 | C50 | N16 | 118.8° | 120.9° |
| C46 | C47 | O20 | 120.4° | 119.6° |
| C46 | C47 | C48 | 119.9° | 120.7° |
| C47 | C46 | H77 | 119.8° | 120.3° |
| O20 | C47 | C48 | 119.7° | 119.7° |
| C47 | O20 | H78 | 109.5° | 114.0° |
| C47 | C48 | O21 | 119.7° | 119.6° |
| C47 | C48 | C49 | 120.2° | 120.9° |
| O21 | C48 | C49 | 120.1° | 119.5° |
| C48 | O21 | H79 | 109.5° | 114.0° |
| C48 | C49 | C50 | 120.8° | 119.7° |
| C48 | C49 | H80 | 119.6° | 120.1° |
| C49 | C50 | N16 | 122.8° | 119.8° |
| C50 | C49 | H80 | 119.6° | 120.2° |
| C50 | N16 | C51 | 123.2° | 116.0° |
| C50 | N16 | C53 | 120.5° | 120.8° |
| C51 | N16 | C53 | 116.2° | 123.1° |
| N16 | C51 | C52 | 142.9° | 109.2° |
| N16 | C51 | C55 | 109.1° | 110.5° |
| N16 | C51 | H81 | 90.4° | 109.3° |
| N16 | C53 | N17 | 118.3° | 123.7° |
| C52 | C51 | C55 | 108.0° | 109.3° |
| C51 | C52 | O22 | 121.7° | 120.0° |
| C52 | C51 | H81 | 90.4° | 109.3° |
| C51 | C52 | N1 | 118.3° | 120.0° |
| C51 | C55 | C54 | 109.2° | 107.9° |
| C55 | C51 | H81 | 90.4° | 109.2° |
| C51 | C55 | H82 | 109.5° | 109.8° |
| C51 | C55 | H83 | 109.5° | 109.9° |
| O22 | C52 | N1 | 120.0° | 120.0° |
| C53 | N17 | C54 | 118.5° | 113.5° |
| C53 | N17 | H84 | 120.7° | 111.0° |
| N17 | C54 | C55 | 112.4° | 108.2° |
| C54 | N17 | H84 | 120.7° | 111.0° |
| N17 | C54 | H85 | 108.7° | 109.8° |
| N17 | C54 | H86 | 108.7° | 109.8° |
| C54 | C55 | H82 | 109.6° | 110.1° |
| C54 | C55 | H83 | 109.5° | 109.4° |
| C55 | C54 | H85 | 108.7° | 109.9° |
| C55 | C54 | H86 | 108.8° | 109.2° |
| H71 | C40 | H72 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.5° | 109.4° |
| H82 | C55 | H83 | 109.5° | 109.8° |
| H85 | C54 | H86 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C52 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 120.3° | 120.0° |
| N1 | C1 | C2 | H2 | 120.0° | 120.0° |
| N1 | C1 | C3 | H2 | 119.5° | 120.0° |
| N1 | C1 | C2 | O1 | 72.5° | 0.0° |
| N1 | C1 | C3 | O2 | 161.8° | 65.0° |
| N1 | C1 | C3 | H3 | 41.6° | 55.0° |
| N1 | C1 | C3 | H4 | 78.1° | 175.0° |
| C1 | N1 | C52 | C51 | 76.2° | 180.0° |
| C1 | N1 | C52 | O22 | 103.5° | 0.0° |
| N1 | C1 | C2 | N2 | 107.1° | 180.0° |
| H1 | N1 | C1 | C2 | 132.6° | 24.9° |
| H1 | N1 | C1 | C3 | 10.7° | 95.1° |
| H1 | N1 | C1 | H2 | 108.1° | 145.0° |
| H1 | N1 | C52 | C51 | 103.9° | 0.3° |
| H1 | N1 | C52 | O22 | 76.5° | 179.8° |
| C2 | C1 | C3 | H2 | 119.6° | 120.0° |
| C1 | C2 | O1 | N2 | 179.5° | 180.0° |
| C2 | C1 | C3 | O2 | 40.9° | 55.0° |
| C2 | C1 | C3 | H3 | 79.3° | 175.0° |
| C2 | C1 | C3 | H4 | 161.0° | 65.0° |
| C1 | C2 | N2 | C4 | 112.9° | 180.0° |
| C1 | C2 | N2 | H6 | 67.1° | 0.0° |
| C2 | C1 | N1 | C52 | 47.4° | 155.3° |
| C3 | C1 | C2 | O1 | 47.8° | 120.0° |
| C1 | C3 | O2 | H3 | 120.2° | 120.0° |
| C1 | C3 | O2 | H4 | 120.1° | 119.9° |
| C1 | C3 | H3 | H4 | 119.5° | 120.0° |
| C1 | C3 | O2 | H5 | 180.0° | 180.0° |
| C3 | C1 | C2 | N2 | 132.6° | 60.0° |
| C3 | C1 | N1 | C52 | 169.3° | 84.7° |
| H2 | C1 | C2 | O1 | 167.5° | 120.0° |
| H2 | C1 | C3 | O2 | 78.7° | 175.0° |
| H2 | C1 | C3 | H3 | 161.1° | 65.0° |
| H2 | C1 | C3 | H4 | 41.4° | 55.0° |
| H2 | C1 | C2 | N2 | 12.9° | 60.0° |
| H2 | C1 | N1 | C52 | 71.9° | 35.2° |
| O1 | C2 | N2 | C4 | 67.6° | 0.0° |
| O1 | C2 | N2 | H6 | 112.5° | 180.0° |
| O2 | C3 | H3 | H4 | 119.6° | 120.1° |
| H3 | C3 | O2 | H5 | 59.8° | 60.0° |
| H4 | C3 | O2 | H5 | 59.9° | 60.1° |
| C4 | N2 | H6 | C2 | 180.0° | 179.9° |
| N2 | C4 | C5 | C6 | 124.5° | 120.0° |
| N2 | C4 | C5 | H7 | 118.1° | 120.0° |
| N2 | C4 | C6 | H7 | 120.1° | 120.1° |
| N2 | C4 | C5 | O3 | 125.1° | 0.0° |
| N2 | C4 | C6 | C7 | 57.4° | 65.0° |
| N2 | C4 | C6 | H8 | 62.9° | 55.0° |
| N2 | C4 | C6 | H9 | 177.8° | 174.9° |
| N2 | C4 | C5 | N6 | 54.3° | 180.0° |
| H6 | N2 | C4 | C5 | 73.2° | 25.0° |
| H6 | N2 | C4 | C6 | 50.3° | 94.9° |
| H6 | N2 | C4 | H7 | 169.5° | 145.0° |
| C5 | C4 | C6 | H7 | 117.4° | 120.0° |
| C4 | C5 | O3 | N6 | 179.4° | 180.0° |
| C5 | C4 | C6 | C7 | 179.9° | 175.0° |
| C5 | C4 | C6 | H8 | 59.5° | 65.0° |
| C5 | C4 | C6 | H9 | 59.7° | 55.0° |
| C4 | C5 | N6 | C10 | 93.8° | 180.0° |
| C4 | C5 | N6 | H19 | 86.2° | 0.0° |
| C5 | C4 | N2 | C2 | 106.8° | 155.0° |
| C6 | C4 | C5 | O3 | 0.6° | 120.0° |
| C4 | C6 | C7 | H8 | 120.4° | 120.0° |
| C4 | C6 | C7 | H9 | 120.4° | 120.0° |
| C4 | C6 | H8 | H9 | 118.9° | 120.0° |
| C4 | C6 | C7 | C8 | 96.9° | 180.0° |
| C4 | C6 | C7 | H10 | 23.0° | 60.0° |
| C4 | C6 | C7 | H11 | 143.2° | 60.0° |
| C6 | C4 | N2 | C2 | 129.7° | 85.0° |
| C6 | C4 | C5 | N6 | 178.8° | 60.0° |
| H7 | C4 | C5 | O3 | 116.8° | 120.0° |
| H7 | C4 | C6 | C7 | 62.7° | 55.0° |
| H7 | C4 | C6 | H8 | 177.0° | 175.0° |
| H7 | C4 | C6 | H9 | 57.7° | 65.0° |
| H7 | C4 | N2 | C2 | 10.4° | 35.1° |
| H7 | C4 | C5 | N6 | 63.7° | 60.0° |
| O3 | C5 | N6 | C10 | 86.8° | 0.0° |
| O3 | C5 | N6 | H19 | 93.2° | 180.0° |
| C7 | C6 | H8 | H9 | 118.9° | 120.0° |
| C6 | C7 | C8 | H10 | 119.9° | 120.0° |
| C6 | C7 | C8 | H11 | 119.9° | 120.0° |
| C6 | C7 | H10 | H11 | 120.2° | 120.0° |
| C6 | C7 | C8 | N3 | 99.0° | 180.0° |
| C6 | C7 | C8 | H12 | 20.9° | 60.0° |
| C6 | C7 | C8 | H13 | 141.1° | 60.0° |
| H8 | C6 | C7 | C8 | 142.7° | 60.0° |
| H8 | C6 | C7 | H10 | 97.4° | 180.0° |
| H8 | C6 | C7 | H11 | 22.8° | 60.0° |
| H9 | C6 | C7 | C8 | 23.5° | 60.0° |
| H9 | C6 | C7 | H10 | 143.4° | 60.0° |
| H9 | C6 | C7 | H11 | 96.4° | 180.0° |
| C8 | C7 | H10 | H11 | 120.3° | 120.0° |
| C7 | C8 | N3 | H12 | 119.9° | 120.0° |
| C7 | C8 | N3 | H13 | 119.9° | 119.9° |
| C7 | C8 | H12 | H13 | 120.4° | 120.0° |
| C7 | C8 | N3 | C9 | 179.8° | 180.0° |
| C7 | C8 | N3 | H14 | 0.2° | 0.1° |
| H10 | C7 | C8 | N3 | 141.1° | 60.0° |
| H10 | C7 | C8 | H12 | 99.1° | 180.0° |
| H10 | C7 | C8 | H13 | 21.2° | 60.0° |
| H11 | C7 | C8 | N3 | 20.9° | 60.0° |
| H11 | C7 | C8 | H12 | 140.8° | 60.0° |
| H11 | C7 | C8 | H13 | 99.0° | 179.9° |
| N3 | C8 | H12 | H13 | 120.4° | 120.0° |
| C8 | N3 | C9 | H14 | 180.0° | 179.9° |
| C8 | N3 | C9 | N4 | 120.1° | 0.0° |
| C8 | N3 | C9 | N5 | 60.2° | 180.0° |
| H12 | C8 | N3 | C9 | 60.0° | 60.0° |
| H12 | C8 | N3 | H14 | 120.0° | 119.9° |
| H13 | C8 | N3 | C9 | 60.3° | 60.1° |
| H13 | C8 | N3 | H14 | 119.7° | 120.0° |
| N3 | C9 | N4 | N5 | 179.7° | 180.0° |
| N3 | C9 | N4 | H15 | 179.7° | 0.0° |
| N3 | C9 | N4 | H16 | 0.3° | 180.0° |
| N3 | C9 | N5 | H17 | 179.7° | 0.0° |
| N3 | C9 | N5 | H18 | 0.3° | 180.0° |
| H14 | N3 | C9 | N4 | 59.9° | 180.0° |
| H14 | N3 | C9 | N5 | 119.8° | 0.0° |
| C9 | N4 | H15 | H16 | 179.9° | 180.0° |
| N4 | C9 | N5 | H17 | 0.0° | 180.0° |
| N4 | C9 | N5 | H18 | 180.0° | 0.0° |
| N5 | C9 | N4 | H15 | 0.0° | 180.0° |
| N5 | C9 | N4 | H16 | 180.0° | 0.0° |
| C9 | N5 | H17 | H18 | 180.0° | 179.9° |
| C10 | N6 | H19 | C5 | 180.0° | 180.0° |
| N6 | C10 | C11 | C12 | 122.4° | 120.0° |
| N6 | C10 | C11 | H20 | 118.2° | 120.0° |
| N6 | C10 | C12 | H20 | 120.3° | 120.0° |
| N6 | C10 | C11 | O4 | 134.5° | 0.0° |
| N6 | C10 | C12 | O5 | 32.7° | 65.0° |
| N6 | C10 | C12 | H21 | 87.4° | 55.1° |
| N6 | C10 | C12 | H22 | 152.9° | 175.0° |
| N6 | C10 | C11 | N7 | 44.7° | 180.0° |
| H19 | N6 | C10 | C11 | 77.9° | 25.0° |
| H19 | N6 | C10 | C12 | 45.1° | 95.0° |
| H19 | N6 | C10 | H20 | 164.7° | 145.0° |
| C11 | C10 | C12 | H20 | 119.4° | 120.1° |
| C10 | C11 | O4 | N7 | 179.2° | 180.0° |
| C11 | C10 | C12 | O5 | 87.6° | 54.9° |
| C11 | C10 | C12 | H21 | 152.3° | 175.0° |
| C11 | C10 | C12 | H22 | 32.5° | 65.0° |
| C10 | C11 | N7 | C13 | 87.9° | 180.0° |
| C10 | C11 | N7 | H24 | 92.2° | 0.0° |
| C11 | C10 | N6 | C5 | 102.1° | 155.0° |
| C12 | C10 | C11 | O4 | 103.0° | 119.9° |
| C10 | C12 | O5 | H21 | 120.1° | 120.1° |
| C10 | C12 | O5 | H22 | 120.1° | 120.0° |
| C10 | C12 | H21 | H22 | 119.6° | 120.0° |
| C10 | C12 | O5 | H23 | 84.5° | 180.0° |
| C12 | C10 | N6 | C5 | 134.9° | 85.0° |
| C12 | C10 | C11 | N7 | 77.7° | 60.0° |
| H20 | C10 | C11 | O4 | 16.3° | 120.0° |
| H20 | C10 | C12 | O5 | 153.0° | 175.0° |
| H20 | C10 | C12 | H21 | 32.9° | 64.9° |
| H20 | C10 | C12 | H22 | 86.8° | 55.0° |
| H20 | C10 | N6 | C5 | 15.3° | 35.0° |
| H20 | C10 | C11 | N7 | 162.9° | 60.0° |
| O4 | C11 | N7 | C13 | 92.9° | 0.0° |
| O4 | C11 | N7 | H24 | 87.1° | 180.0° |
| O5 | C12 | H21 | H22 | 119.6° | 120.0° |
| H21 | C12 | O5 | H23 | 35.6° | 59.9° |
| H22 | C12 | O5 | H23 | 155.4° | 60.0° |
| N7 | C13 | C14 | C18 | 121.5° | 120.0° |
| N7 | C13 | C14 | H25 | 119.0° | 120.0° |
| N7 | C13 | C18 | H25 | 119.1° | 120.0° |
| N7 | C13 | C14 | C15 | 132.0° | 65.0° |
| N7 | C13 | C18 | O8 | 37.1° | 0.0° |
| C13 | N7 | H24 | C11 | 180.0° | 179.9° |
| N7 | C13 | C14 | H26 | 12.0° | 55.0° |
| N7 | C13 | C14 | H27 | 107.9° | 174.9° |
| N7 | C13 | C18 | N9 | 140.8° | 179.9° |
| C14 | C13 | C18 | H25 | 119.5° | 120.0° |
| C13 | C14 | C15 | H26 | 120.0° | 120.0° |
| C13 | C14 | C15 | H27 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 162.0° | 180.0° |
| C14 | C13 | C18 | O8 | 84.3° | 119.9° |
| C14 | C13 | N7 | H24 | 123.2° | 95.0° |
| C13 | C14 | H26 | H27 | 119.9° | 120.0° |
| C13 | C14 | C15 | H28 | 41.7° | 60.0° |
| C13 | C14 | C15 | H29 | 77.6° | 60.0° |
| C14 | C13 | N7 | C11 | 56.8° | 85.0° |
| C14 | C13 | C18 | N9 | 97.8° | 60.0° |
| C18 | C13 | C14 | C15 | 106.5° | 175.0° |
| C13 | C18 | O8 | N9 | 177.8° | 179.9° |
| C18 | C13 | N7 | H24 | 0.2° | 25.0° |
| C18 | C13 | C14 | H26 | 133.5° | 64.9° |
| C18 | C13 | C14 | H27 | 13.6° | 55.0° |
| C13 | C18 | N9 | C19 | 108.3° | 180.0° |
| C13 | C18 | N9 | H34 | 71.7° | 0.0° |
| C18 | C13 | N7 | C11 | 179.8° | 155.0° |
| C14 | C15 | C16 | H28 | 120.4° | 120.0° |
| C14 | C15 | C16 | H29 | 120.4° | 120.0° |
| C14 | C15 | C16 | N8 | 179.3° | 180.0° |
| C15 | C14 | C13 | H25 | 13.0° | 55.0° |
| C15 | C14 | H26 | H27 | 119.9° | 120.0° |
| C14 | C15 | H28 | H29 | 118.9° | 120.0° |
| C14 | C15 | C16 | H30 | 60.2° | 59.9° |
| C14 | C15 | C16 | H31 | 58.8° | 60.0° |
| C15 | C16 | N8 | H30 | 120.5° | 120.1° |
| C15 | C16 | N8 | H31 | 120.5° | 120.0° |
| C15 | C16 | N8 | O6 | 13.6° | 105.0° |
| C15 | C16 | N8 | C17 | 166.8° | 75.0° |
| C16 | C15 | C14 | H26 | 77.9° | 60.0° |
| C16 | C15 | C14 | H27 | 42.0° | 60.0° |
| C16 | C15 | H28 | H29 | 118.9° | 120.0° |
| C15 | C16 | H30 | H31 | 118.4° | 119.9° |
| C16 | N8 | O6 | C17 | 179.6° | 180.0° |
| C16 | N8 | C17 | O7 | 179.8° | 180.0° |
| N8 | C16 | C15 | H28 | 58.9° | 60.0° |
| N8 | C16 | C15 | H29 | 60.3° | 60.0° |
| N8 | C16 | H30 | H31 | 118.4° | 120.0° |
| C16 | N8 | C17 | H32 | 0.2° | 0.0° |
| C16 | N8 | O6 | H33 | 179.7° | 180.0° |
| O6 | N8 | C17 | O7 | 0.2° | 0.0° |
| O6 | N8 | C16 | H30 | 134.1° | 135.0° |
| O6 | N8 | C16 | H31 | 106.9° | 15.0° |
| O6 | N8 | C17 | H32 | 179.8° | 180.0° |
| N8 | C17 | O7 | H32 | 180.0° | 180.0° |
| C17 | N8 | C16 | H30 | 46.3° | 45.1° |
| C17 | N8 | C16 | H31 | 72.7° | 165.1° |
| C17 | N8 | O6 | H33 | 0.1° | 0.0° |
| O8 | C18 | C13 | H25 | 156.2° | 120.1° |
| O8 | C18 | N9 | C19 | 73.9° | 0.1° |
| O8 | C18 | N9 | H34 | 106.1° | 179.9° |
| H24 | N7 | C13 | H25 | 118.6° | 145.0° |
| H25 | C13 | C14 | H26 | 107.1° | 175.1° |
| H25 | C13 | C14 | H27 | 133.0° | 65.0° |
| H25 | C13 | N7 | C11 | 61.5° | 35.0° |
| H25 | C13 | C18 | N9 | 21.7° | 60.0° |
| H26 | C14 | C15 | H28 | 161.7° | 180.0° |
| H26 | C14 | C15 | H29 | 42.4° | 60.0° |
| H27 | C14 | C15 | H28 | 78.3° | 60.0° |
| H27 | C14 | C15 | H29 | 162.4° | 180.0° |
| H28 | C15 | C16 | H30 | 179.5° | 180.0° |
| H28 | C15 | C16 | H31 | 61.5° | 60.0° |
| H29 | C15 | C16 | H30 | 60.2° | 60.1° |
| H29 | C15 | C16 | H31 | 179.2° | 180.0° |
| C19 | N9 | H34 | C18 | 180.0° | 180.0° |
| N9 | C19 | C20 | C21 | 126.9° | 120.0° |
| N9 | C19 | C20 | H35 | 117.2° | 120.0° |
| N9 | C19 | C21 | H35 | 120.3° | 120.0° |
| N9 | C19 | C20 | O9 | 125.9° | 106.1° |
| N9 | C19 | C21 | C22 | 125.8° | 24.1° |
| N9 | C19 | C21 | H36 | 5.9° | 144.2° |
| N9 | C19 | C21 | H37 | 114.3° | 95.8° |
| N9 | C19 | C20 | N11 | 54.4° | 73.8° |
| H34 | N9 | C19 | C20 | 75.6° | 23.3° |
| H34 | N9 | C19 | C21 | 161.4° | 96.6° |
| H34 | N9 | C19 | H35 | 41.4° | 143.3° |
| C20 | C19 | C21 | H35 | 116.0° | 120.0° |
| C19 | C20 | O9 | N11 | 179.7° | 180.0° |
| C20 | C19 | C21 | C22 | 110.5° | 95.9° |
| C20 | C19 | C21 | H36 | 129.7° | 24.2° |
| C20 | C19 | C21 | H37 | 9.4° | 144.2° |
| C19 | C20 | N11 | C25 | 180.0° | 179.8° |
| C19 | C20 | N11 | H46 | 0.0° | 0.1° |
| C20 | C19 | N9 | C18 | 104.5° | 156.7° |
| C21 | C19 | C20 | O9 | 1.0° | 13.8° |
| C19 | C21 | C22 | H36 | 119.9° | 120.1° |
| C19 | C21 | C22 | H37 | 119.9° | 120.0° |
| C19 | C21 | H36 | H37 | 120.3° | 120.0° |
| C19 | C21 | C22 | C23 | 98.6° | 133.4° |
| C19 | C21 | C22 | H38 | 22.0° | 106.6° |
| C19 | C21 | C22 | H39 | 140.9° | 13.4° |
| C21 | C19 | N9 | C18 | 18.6° | 83.3° |
| C21 | C19 | C20 | N11 | 178.7° | 166.2° |
| H35 | C19 | C20 | O9 | 116.8° | 133.8° |
| H35 | C19 | C21 | C22 | 5.5° | 144.2° |
| H35 | C19 | C21 | H36 | 114.4° | 95.7° |
| H35 | C19 | C21 | H37 | 125.4° | 24.2° |
| H35 | C19 | N9 | C18 | 138.6° | 36.7° |
| H35 | C19 | C20 | N11 | 62.9° | 46.2° |
| O9 | C20 | N11 | C25 | 0.3° | 0.2° |
| O9 | C20 | N11 | H46 | 179.7° | 179.9° |
| C22 | C21 | H36 | H37 | 120.2° | 119.9° |
| C21 | C22 | C23 | H38 | 120.5° | 120.0° |
| C21 | C22 | C23 | H39 | 120.5° | 120.0° |
| C21 | C22 | H38 | H39 | 118.4° | 120.0° |
| C21 | C22 | C23 | C24 | 152.1° | 150.0° |
| C21 | C22 | C23 | H40 | 88.1° | 30.0° |
| C21 | C22 | C23 | H41 | 32.3° | 90.0° |
| H36 | C21 | C22 | C23 | 141.5° | 13.3° |
| H36 | C21 | C22 | H38 | 97.9° | 133.3° |
| H36 | C21 | C22 | H39 | 21.0° | 106.7° |
| H37 | C21 | C22 | C23 | 21.4° | 106.6° |
| H37 | C21 | C22 | H38 | 141.9° | 13.4° |
| H37 | C21 | C22 | H39 | 99.2° | 133.4° |
| C23 | C22 | H38 | H39 | 118.5° | 120.0° |
| C22 | C23 | C24 | H40 | 119.8° | 120.0° |
| C22 | C23 | C24 | H41 | 119.8° | 120.0° |
| C22 | C23 | H40 | H41 | 120.5° | 120.0° |
| C22 | C23 | C24 | N10 | 76.0° | 140.2° |
| C22 | C23 | C24 | H42 | 44.0° | 99.8° |
| C22 | C23 | C24 | H43 | 163.9° | 20.2° |
| H38 | C22 | C23 | C24 | 31.6° | 89.9° |
| H38 | C22 | C23 | H40 | 151.4° | 150.0° |
| H38 | C22 | C23 | H41 | 88.2° | 30.0° |
| H39 | C22 | C23 | C24 | 87.4° | 30.1° |
| H39 | C22 | C23 | H40 | 32.4° | 90.0° |
| H39 | C22 | C23 | H41 | 152.8° | 150.0° |
| C24 | C23 | H40 | H41 | 120.5° | 120.0° |
| C23 | C24 | N10 | H42 | 120.0° | 120.0° |
| C23 | C24 | N10 | H43 | 120.0° | 120.0° |
| C23 | C24 | H42 | H43 | 120.0° | 120.0° |
| C23 | C24 | N10 | H44 | 30.0° | 22.9° |
| C23 | C24 | N10 | H45 | 86.4° | 97.0° |
| C23 | C24 | N10 | C36 | 151.8° | 143.0° |
| H40 | C23 | C24 | N10 | 164.1° | 20.2° |
| H40 | C23 | C24 | H42 | 75.9° | 140.2° |
| H40 | C23 | C24 | H43 | 44.1° | 99.8° |
| H41 | C23 | C24 | N10 | 43.8° | 99.9° |
| H41 | C23 | C24 | H42 | 163.8° | 20.2° |
| H41 | C23 | C24 | H43 | 76.3° | 140.2° |
| N10 | C24 | H42 | H43 | 120.0° | 120.0° |
| C24 | N10 | H44 | H45 | 114.3° | 120.0° |
| C24 | N10 | H44 | C36 | 131.5° | 120.1° |
| C24 | N10 | H45 | C36 | 131.5° | 120.0° |
| C24 | N10 | C36 | C35 | 179.3° | 145.1° |
| C24 | N10 | C36 | O15 | 0.1° | 34.9° |
| H42 | C24 | N10 | H44 | 150.0° | 143.0° |
| H42 | C24 | N10 | H45 | 33.6° | 23.0° |
| H42 | C24 | N10 | C36 | 88.2° | 97.0° |
| H43 | C24 | N10 | H44 | 90.0° | 97.0° |
| H43 | C24 | N10 | H45 | 153.5° | 143.0° |
| H43 | C24 | N10 | C36 | 31.8° | 23.0° |
| H44 | N10 | H45 | C36 | 114.2° | 120.0° |
| H44 | N10 | C36 | C35 | 57.6° | 25.0° |
| H44 | N10 | C36 | O15 | 121.8° | 154.9° |
| H45 | N10 | C36 | C35 | 58.9° | 94.9° |
| H45 | N10 | C36 | O15 | 121.7° | 85.1° |
| N11 | C25 | C26 | C30 | 124.3° | 118.9° |
| N11 | C25 | C26 | H47 | 119.2° | 120.5° |
| N11 | C25 | C30 | H47 | 116.2° | 119.7° |
| N11 | C25 | C26 | C27 | 22.1° | 65.0° |
| N11 | C25 | C30 | O12 | 122.6° | 38.5° |
| C25 | N11 | H46 | C20 | 180.0° | 179.9° |
| N11 | C25 | C26 | H48 | 98.8° | 55.0° |
| N11 | C25 | C26 | H49 | 143.0° | 175.0° |
| N11 | C25 | C30 | N13 | 57.0° | 141.5° |
| C26 | C25 | C30 | H47 | 116.5° | 120.5° |
| C25 | C26 | C27 | H48 | 120.9° | 119.9° |
| C25 | C26 | C27 | H49 | 120.9° | 120.0° |
| C25 | C26 | C27 | C28 | 65.1° | 180.0° |
| C26 | C25 | C30 | O12 | 110.0° | 158.2° |
| C26 | C25 | N11 | H46 | 21.9° | 123.3° |
| C25 | C26 | H48 | H49 | 117.1° | 120.0° |
| C25 | C26 | C27 | H50 | 55.7° | 60.0° |
| C25 | C26 | C27 | H51 | 174.2° | 60.0° |
| C26 | C25 | N11 | C20 | 158.1° | 56.8° |
| C26 | C25 | C30 | N13 | 70.3° | 21.7° |
| C30 | C25 | C26 | C27 | 146.4° | 176.1° |
| C25 | C30 | O12 | N13 | 179.7° | 180.0° |
| C30 | C25 | N11 | H46 | 104.5° | 117.0° |
| C30 | C25 | C26 | H48 | 25.5° | 63.9° |
| C30 | C25 | C26 | H49 | 92.7° | 56.1° |
| C25 | C30 | N13 | C31 | 179.8° | 179.5° |
| C25 | C30 | N13 | H56 | 0.2° | 0.5° |
| C30 | C25 | N11 | C20 | 75.4° | 63.0° |
| C26 | C27 | C28 | H50 | 120.8° | 120.0° |
| C26 | C27 | C28 | H51 | 120.8° | 120.0° |
| C26 | C27 | C28 | N12 | 100.3° | 180.0° |
| C27 | C26 | C25 | H47 | 97.1° | 55.6° |
| C27 | C26 | H48 | H49 | 117.1° | 120.1° |
| C26 | C27 | H50 | H51 | 117.5° | 120.0° |
| C26 | C27 | C28 | H52 | 20.6° | 60.0° |
| C26 | C27 | C28 | H53 | 138.7° | 60.0° |
| C27 | C28 | N12 | H52 | 121.0° | 120.0° |
| C27 | C28 | N12 | H53 | 120.9° | 120.0° |
| C27 | C28 | N12 | O10 | 164.6° | 105.0° |
| C27 | C28 | N12 | C29 | 34.9° | 75.0° |
| C28 | C27 | C26 | H48 | 174.0° | 60.0° |
| C28 | C27 | C26 | H49 | 55.9° | 60.1° |
| C28 | C27 | H50 | H51 | 117.5° | 120.0° |
| C27 | C28 | H52 | H53 | 116.9° | 120.0° |
| C28 | N12 | O10 | C29 | 131.3° | 180.0° |
| C28 | N12 | C29 | O11 | 132.0° | 180.0° |
| N12 | C28 | C27 | H50 | 138.9° | 60.0° |
| N12 | C28 | C27 | H51 | 20.4° | 60.0° |
| N12 | C28 | H52 | H53 | 117.0° | 120.0° |
| C28 | N12 | C29 | H54 | 47.9° | 0.0° |
| C28 | N12 | O10 | H55 | 131.3° | 180.0° |
| O10 | N12 | C29 | O11 | 0.1° | 0.0° |
| O10 | N12 | C28 | H52 | 74.5° | 135.0° |
| O10 | N12 | C28 | H53 | 43.6° | 15.0° |
| O10 | N12 | C29 | H54 | 179.9° | 180.0° |
| N12 | C29 | O11 | H54 | 180.0° | 179.9° |
| C29 | N12 | C28 | H52 | 155.8° | 45.0° |
| C29 | N12 | C28 | H53 | 86.1° | 165.0° |
| C29 | N12 | O10 | H55 | 0.0° | 0.0° |
| O12 | C30 | C25 | H47 | 6.4° | 81.3° |
| O12 | C30 | N13 | C31 | 0.6° | 0.5° |
| O12 | C30 | N13 | H56 | 179.4° | 179.5° |
| H46 | N11 | C25 | H47 | 140.3° | 2.8° |
| H47 | C25 | C26 | H48 | 141.9° | 175.5° |
| H47 | C25 | C26 | H49 | 23.8° | 64.4° |
| H47 | C25 | N11 | C20 | 39.7° | 177.3° |
| H47 | C25 | C30 | N13 | 173.2° | 98.8° |
| H48 | C26 | C27 | H50 | 65.2° | 179.9° |
| H48 | C26 | C27 | H51 | 53.2° | 60.0° |
| H49 | C26 | C27 | H50 | 176.7° | 60.0° |
| H49 | C26 | C27 | H51 | 64.9° | 179.9° |
| H50 | C27 | C28 | H52 | 100.2° | 180.0° |
| H50 | C27 | C28 | H53 | 17.9° | 60.0° |
| H51 | C27 | C28 | H52 | 141.4° | 60.0° |
| H51 | C27 | C28 | H53 | 100.5° | 180.0° |
| C31 | N13 | H56 | C30 | 180.0° | 180.0° |
| N13 | C31 | C32 | C33 | 125.4° | 119.8° |
| N13 | C31 | C32 | H57 | 119.0° | 119.8° |
| N13 | C31 | C33 | H57 | 119.4° | 120.4° |
| N13 | C31 | C32 | O13 | 146.0° | 62.3° |
| N13 | C31 | C33 | O14 | 0.5° | 65.0° |
| N13 | C31 | C33 | C34 | 122.8° | 55.0° |
| N13 | C31 | C33 | H58 | 119.7° | 175.0° |
| N13 | C31 | C32 | N14 | 35.0° | 117.6° |
| H56 | N13 | C31 | C32 | 61.7° | 72.7° |
| H56 | N13 | C31 | C33 | 61.0° | 47.1° |
| H56 | N13 | C31 | H57 | 179.8° | 167.6° |
| C32 | C31 | C33 | H57 | 115.8° | 120.3° |
| C31 | C32 | O13 | N14 | 179.0° | 179.9° |
| C32 | C31 | C33 | O14 | 125.3° | 54.3° |
| C32 | C31 | C33 | C34 | 112.3° | 174.3° |
| C32 | C31 | C33 | H58 | 5.2° | 65.7° |
| C31 | C32 | N14 | C35 | 178.8° | 179.8° |
| C31 | C32 | N14 | H63 | 1.2° | 0.2° |
| C32 | C31 | N13 | C30 | 118.3° | 107.4° |
| C33 | C31 | C32 | O13 | 88.7° | 57.5° |
| C31 | C33 | O14 | C34 | 122.8° | 120.0° |
| C31 | C33 | O14 | H58 | 119.1° | 120.0° |
| C31 | C33 | C34 | H58 | 117.2° | 120.0° |
| C31 | C33 | O14 | H59 | 180.0° | 60.0° |
| C31 | C33 | C34 | H60 | 180.0° | 60.0° |
| C31 | C33 | C34 | H61 | 60.0° | 180.0° |
| C31 | C33 | C34 | H62 | 60.0° | 60.0° |
| C33 | C31 | N13 | C30 | 119.0° | 132.9° |
| C33 | C31 | C32 | N14 | 90.4° | 122.6° |
| H57 | C31 | C32 | O13 | 27.0° | 177.9° |
| H57 | C31 | C33 | O14 | 118.9° | 174.6° |
| H57 | C31 | C33 | C34 | 3.5° | 65.4° |
| H57 | C31 | C33 | H58 | 121.0° | 54.6° |
| H57 | C31 | N13 | C30 | 0.2° | 12.4° |
| H57 | C31 | C32 | N14 | 153.9° | 2.2° |
| O13 | C32 | N14 | C35 | 0.3° | 0.1° |
| O13 | C32 | N14 | H63 | 179.7° | 179.9° |
| O14 | C33 | C34 | H58 | 118.9° | 120.0° |
| O14 | C33 | C34 | H60 | 56.1° | 60.0° |
| O14 | C33 | C34 | H61 | 176.2° | 60.0° |
| O14 | C33 | C34 | H62 | 63.8° | 180.0° |
| C34 | C33 | O14 | H59 | 57.2° | 60.0° |
| C33 | C34 | H60 | H61 | 120.0° | 120.0° |
| C33 | C34 | H60 | H62 | 120.0° | 120.0° |
| C33 | C34 | H61 | H62 | 120.0° | 120.0° |
| H58 | C33 | O14 | H59 | 60.9° | 180.0° |
| H58 | C33 | C34 | H60 | 62.8° | 180.0° |
| H58 | C33 | C34 | H61 | 57.3° | 60.0° |
| H58 | C33 | C34 | H62 | 177.2° | 60.0° |
| H60 | C34 | H61 | H62 | 120.0° | 120.0° |
| C35 | N14 | H63 | C32 | 180.0° | 179.9° |
| N14 | C35 | C36 | C37 | 121.3° | 119.7° |
| N14 | C35 | C36 | H64 | 120.6° | 119.7° |
| N14 | C35 | C37 | H64 | 119.1° | 120.6° |
| N14 | C35 | C36 | O15 | 124.4° | 73.2° |
| N14 | C35 | C37 | O16 | 50.7° | 74.6° |
| N14 | C35 | C37 | C38 | 69.8° | 165.4° |
| N14 | C35 | C37 | H65 | 171.3° | 45.3° |
| N14 | C35 | C36 | N10 | 55.1° | 106.7° |
| H63 | N14 | C35 | C36 | 114.5° | 45.1° |
| H63 | N14 | C35 | C37 | 6.8° | 164.8° |
| H63 | N14 | C35 | H64 | 125.5° | 74.6° |
| C36 | C35 | C37 | H64 | 118.1° | 120.4° |
| C35 | C36 | O15 | N10 | 179.4° | 180.0° |
| C36 | C35 | C37 | O16 | 72.2° | 166.5° |
| C36 | C35 | C37 | C38 | 167.3° | 46.5° |
| C36 | C35 | C37 | H65 | 48.4° | 73.6° |
| C36 | C35 | N14 | C32 | 65.5° | 134.9° |
| C37 | C35 | C36 | O15 | 114.4° | 167.0° |
| C35 | C37 | O16 | C38 | 120.7° | 120.0° |
| C35 | C37 | O16 | H65 | 119.7° | 119.9° |
| C35 | C37 | C38 | H65 | 118.9° | 120.0° |
| C35 | C37 | O16 | H66 | 180.0° | 60.1° |
| C35 | C37 | C38 | H67 | 180.0° | 33.4° |
| C35 | C37 | C38 | H68 | 60.0° | 153.5° |
| C35 | C37 | C38 | H69 | 60.0° | 86.5° |
| C37 | C35 | N14 | C32 | 173.2° | 15.2° |
| C37 | C35 | C36 | N10 | 66.2° | 13.0° |
| H64 | C35 | C36 | O15 | 3.8° | 46.5° |
| H64 | C35 | C37 | O16 | 169.8° | 46.0° |
| H64 | C35 | C37 | C38 | 49.2° | 74.0° |
| H64 | C35 | C37 | H65 | 69.6° | 165.9° |
| H64 | C35 | N14 | C32 | 54.5° | 105.5° |
| H64 | C35 | C36 | N10 | 175.6° | 133.6° |
| O16 | C37 | C38 | H65 | 120.4° | 120.0° |
| O16 | C37 | C38 | H67 | 59.3° | 86.5° |
| O16 | C37 | C38 | H68 | 179.4° | 33.6° |
| O16 | C37 | C38 | H69 | 60.7° | 153.5° |
| C38 | C37 | O16 | H66 | 59.3° | 59.9° |
| C37 | C38 | H67 | H68 | 120.0° | 120.0° |
| C37 | C38 | H67 | H69 | 120.0° | 120.0° |
| C37 | C38 | H68 | H69 | 120.0° | 119.9° |
| H65 | C37 | O16 | H66 | 60.3° | 180.0° |
| H65 | C37 | C38 | H67 | 61.1° | 153.4° |
| H65 | C37 | C38 | H68 | 58.9° | 86.5° |
| H65 | C37 | C38 | H69 | 178.9° | 33.5° |
| H67 | C38 | H68 | H69 | 119.9° | 120.0° |
| O17 | C39 | O18 | C40 | 179.4° | 180.0° |
| O17 | C39 | C40 | C41 | 103.4° | 0.1° |
| O17 | C39 | O18 | H70 | 0.0° | 0.0° |
| O17 | C39 | C40 | H71 | 16.8° | 120.0° |
| O17 | C39 | C40 | H72 | 136.3° | 120.0° |
| O18 | C39 | C40 | C41 | 77.2° | 180.0° |
| O18 | C39 | C40 | H71 | 162.6° | 60.0° |
| O18 | C39 | C40 | H72 | 43.1° | 60.0° |
| C39 | C40 | C41 | H71 | 120.2° | 120.0° |
| C39 | C40 | C41 | H72 | 120.3° | 120.0° |
| C39 | C40 | C41 | C42 | 96.2° | 180.0° |
| C40 | C39 | O18 | H70 | 179.4° | 180.0° |
| C39 | C40 | H71 | H72 | 119.3° | 120.0° |
| C39 | C40 | C41 | H73 | 23.9° | 60.0° |
| C39 | C40 | C41 | H74 | 143.7° | 60.0° |
| C40 | C41 | C42 | H73 | 120.1° | 120.1° |
| C40 | C41 | C42 | H74 | 120.1° | 120.0° |
| C40 | C41 | C42 | O19 | 117.5° | 0.0° |
| C40 | C41 | C42 | N15 | 61.8° | 180.0° |
| C41 | C40 | H71 | H72 | 119.2° | 120.0° |
| C40 | C41 | H73 | H74 | 119.8° | 120.0° |
| C41 | C42 | O19 | N15 | 179.2° | 179.9° |
| C41 | C42 | N15 | C43 | 111.2° | 173.3° |
| C42 | C41 | C40 | H71 | 143.5° | 60.0° |
| C42 | C41 | C40 | H72 | 24.0° | 60.0° |
| C42 | C41 | H73 | H74 | 119.7° | 119.9° |
| C41 | C42 | N15 | H75 | 68.8° | 6.6° |
| O19 | C42 | N15 | C43 | 69.6° | 6.6° |
| O19 | C42 | C41 | H73 | 122.4° | 120.1° |
| O19 | C42 | C41 | H74 | 2.6° | 120.0° |
| O19 | C42 | N15 | H75 | 110.4° | 173.4° |
| C42 | N15 | C43 | H75 | 180.0° | 179.9° |
| C42 | N15 | C43 | C44 | 120.7° | 22.3° |
| C42 | N15 | C43 | C53 | 59.6° | 157.3° |
| N15 | C42 | C41 | H73 | 58.3° | 60.0° |
| N15 | C42 | C41 | H74 | 178.1° | 60.0° |
| N15 | C43 | C44 | C53 | 179.8° | 179.7° |
| N15 | C43 | C44 | C45 | 179.8° | 180.0° |
| N15 | C43 | C53 | N16 | 179.7° | 178.8° |
| N15 | C43 | C53 | N17 | 0.2° | 1.6° |
| N15 | C43 | C44 | H76 | 0.2° | 0.0° |
| C43 | C44 | C45 | H76 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 179.9° | 179.7° |
| C43 | C44 | C45 | C50 | 0.1° | 0.4° |
| C44 | C43 | C53 | N16 | 0.1° | 1.5° |
| C44 | C43 | C53 | N17 | 179.9° | 178.1° |
| C44 | C43 | N15 | H75 | 59.3° | 157.6° |
| C53 | C43 | C44 | C45 | 0.0° | 0.4° |
| C43 | C53 | N16 | C50 | 0.1° | 1.8° |
| C43 | C53 | N16 | C51 | 179.8° | 177.9° |
| C43 | C53 | N16 | N17 | 179.8° | 179.6° |
| C43 | C53 | N17 | C54 | 138.9° | 159.8° |
| C53 | C43 | N15 | H75 | 120.4° | 22.7° |
| C53 | C43 | C44 | H76 | 180.0° | 179.7° |
| C43 | C53 | N17 | H84 | 41.1° | 74.3° |
| C44 | C45 | C46 | C50 | 179.8° | 179.9° |
| C44 | C45 | C46 | C47 | 179.9° | 179.9° |
| C44 | C45 | C50 | C49 | 179.9° | 179.9° |
| C44 | C45 | C50 | N16 | 0.1° | 0.2° |
| C44 | C45 | C46 | H77 | 0.1° | 0.1° |
| C45 | C46 | C47 | H77 | 180.0° | 179.9° |
| C45 | C46 | C47 | O20 | 179.9° | 180.0° |
| C45 | C46 | C47 | C48 | 0.0° | 0.1° |
| C46 | C45 | C50 | C49 | 0.1° | 0.0° |
| C46 | C45 | C50 | N16 | 179.9° | 179.9° |
| C46 | C45 | C44 | H76 | 0.1° | 0.4° |
| C50 | C45 | C46 | C47 | 0.1° | 0.1° |
| C45 | C50 | C49 | C48 | 0.0° | 0.0° |
| C45 | C50 | C49 | N16 | 180.0° | 180.0° |
| C45 | C50 | N16 | C51 | 179.9° | 178.7° |
| C45 | C50 | N16 | C53 | 0.0° | 1.0° |
| C50 | C45 | C44 | H76 | 179.9° | 179.5° |
| C50 | C45 | C46 | H77 | 179.9° | 180.0° |
| C45 | C50 | C49 | H80 | 180.0° | 180.0° |
| C46 | C47 | O20 | C48 | 179.9° | 179.9° |
| C46 | C47 | C48 | O21 | 179.9° | 180.0° |
| C46 | C47 | C48 | C49 | 0.1° | 0.0° |
| C46 | C47 | O20 | H78 | 115.6° | 90.0° |
| O20 | C47 | C48 | O21 | 0.0° | 0.0° |
| O20 | C47 | C48 | C49 | 179.8° | 179.9° |
| O20 | C47 | C46 | H77 | 0.1° | 0.1° |
| C47 | C48 | O21 | C49 | 179.8° | 180.0° |
| C47 | C48 | C49 | C50 | 0.1° | 0.0° |
| C48 | C47 | C46 | H77 | 180.0° | 180.0° |
| C48 | C47 | O20 | H78 | 64.3° | 90.0° |
| C47 | C48 | O21 | H79 | 61.4° | 90.0° |
| C47 | C48 | C49 | H80 | 179.9° | 180.0° |
| O21 | C48 | C49 | C50 | 179.9° | 180.0° |
| O21 | C48 | C49 | H80 | 0.1° | 0.0° |
| C48 | C49 | C50 | H80 | 180.0° | 180.0° |
| C48 | C49 | C50 | N16 | 180.0° | 180.0° |
| C49 | C48 | O21 | H79 | 118.4° | 90.0° |
| C49 | C50 | N16 | C51 | 0.1° | 1.3° |
| C49 | C50 | N16 | C53 | 180.0° | 179.0° |
| C50 | N16 | C51 | C53 | 179.9° | 179.7° |
| C50 | N16 | C51 | C52 | 48.2° | 43.3° |
| C50 | N16 | C51 | C55 | 130.2° | 163.6° |
| C50 | N16 | C53 | N17 | 180.0° | 177.8° |
| N16 | C50 | C49 | H80 | 0.0° | 0.0° |
| C50 | N16 | C51 | H81 | 139.3° | 76.2° |
| N16 | C51 | C52 | C55 | 178.4° | 121.0° |
| N16 | C51 | C52 | H81 | 91.1° | 119.5° |
| N16 | C51 | C55 | H81 | 90.5° | 120.3° |
| N16 | C51 | C52 | O22 | 90.1° | 32.1° |
| C51 | N16 | C53 | N17 | 0.0° | 2.5° |
| N16 | C51 | C55 | C54 | 58.7° | 46.4° |
| N16 | C51 | C55 | H82 | 178.7° | 166.4° |
| N16 | C51 | C55 | H83 | 61.2° | 72.7° |
| N16 | C51 | C52 | N1 | 89.5° | 147.9° |
| C53 | N16 | C51 | C52 | 131.9° | 137.0° |
| C53 | N16 | C51 | C55 | 49.7° | 16.8° |
| N16 | C53 | N17 | C54 | 41.0° | 20.6° |
| C53 | N16 | C51 | H81 | 40.8° | 103.5° |
| N16 | C53 | N17 | H84 | 139.0° | 105.3° |
| C52 | C51 | C55 | H81 | 90.5° | 119.6° |
| C51 | C52 | O22 | N1 | 179.6° | 180.0° |
| C52 | C51 | C55 | C54 | 122.3° | 166.6° |
| C52 | C51 | C55 | H82 | 2.3° | 73.4° |
| C52 | C51 | C55 | H83 | 117.8° | 47.5° |
| C55 | C51 | C52 | O22 | 88.3° | 88.8° |
| C51 | C55 | C54 | N17 | 21.9° | 64.6° |
| C51 | C55 | C54 | H82 | 120.0° | 119.8° |
| C51 | C55 | C54 | H83 | 119.9° | 119.5° |
| C51 | C55 | H82 | H83 | 120.1° | 120.9° |
| C51 | C55 | C54 | H85 | 142.4° | 175.5° |
| C51 | C55 | C54 | H86 | 98.5° | 54.9° |
| C55 | C51 | C52 | N1 | 92.1° | 91.2° |
| O22 | C52 | C51 | H81 | 178.8° | 151.7° |
| C53 | N17 | C54 | H84 | 180.0° | 125.9° |
| C53 | N17 | C54 | C55 | 26.8° | 51.3° |
| C53 | N17 | C54 | H85 | 93.6° | 171.3° |
| C53 | N17 | C54 | H86 | 147.3° | 67.9° |
| N17 | C54 | C55 | H85 | 120.4° | 119.9° |
| N17 | C54 | C55 | H86 | 120.4° | 119.5° |
| N17 | C54 | C55 | H82 | 141.9° | 175.6° |
| N17 | C54 | C55 | H83 | 98.0° | 54.8° |
| N17 | C54 | H85 | H86 | 118.7° | 120.8° |
| C54 | C55 | C51 | H81 | 31.8° | 73.8° |
| C54 | C55 | H82 | H83 | 120.1° | 120.5° |
| C55 | C54 | N17 | H84 | 153.2° | 74.6° |
| C55 | C54 | H85 | H86 | 118.7° | 120.2° |
| H71 | C40 | C41 | H73 | 96.4° | 180.0° |
| H71 | C40 | C41 | H74 | 23.5° | 60.0° |
| H72 | C40 | C41 | H73 | 144.1° | 60.0° |
| H72 | C40 | C41 | H74 | 96.0° | 180.0° |
| H81 | C51 | C55 | H82 | 88.2° | 46.2° |
| H81 | C51 | C55 | H83 | 151.7° | 167.1° |
| H81 | C51 | C52 | N1 | 1.6° | 28.4° |
| H82 | C55 | C54 | H85 | 97.7° | 55.6° |
| H82 | C55 | C54 | H86 | 21.5° | 64.9° |
| H83 | C55 | C54 | H85 | 22.4° | 65.1° |
| H83 | C55 | C54 | H86 | 141.5° | 174.3° |
| H84 | N17 | C54 | H85 | 86.4° | 45.4° |
| H84 | N17 | C54 | H86 | 32.7° | 166.2° |
