PRD_002384
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | O2 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.47Å | 1.45Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.21Å | 1.24Å | |
| C19 | O4 | sing | 1.43Å | 1.41Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| N4 | C20 | sing | 1.47Å | 1.43Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.48Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | O6 | doub | 1.21Å | 1.23Å | |
| C24 | N5 | sing | 1.35Å | 1.32Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.57Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C25 | N6 | sing | 1.46Å | 1.46Å | |
| C25 | C30 | sing | 1.51Å | 1.50Å | |
| C30 | O7 | doub | 1.21Å | 1.26Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| N7 | C31 | sing | 1.47Å | 1.45Å | |
| N7 | H48 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.57Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.24Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| N8 | C37 | sing | 1.46Å | 1.49Å | |
| N8 | H59 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | O9 | doub | 1.21Å | 1.24Å | |
| C39 | O10 | sing | 1.43Å | 1.42Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| O10 | H63 | sing | 0.97Å | 0.95Å | |
| N9 | C40 | sing | 1.46Å | 1.48Å | |
| N9 | H64 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.53Å | 1.57Å | |
| C40 | C43 | sing | 1.51Å | 1.52Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | O11 | sing | 1.45Å | 1.44Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | O12 | doub | 1.21Å | 1.23Å | |
| N10 | C44 | sing | 1.48Å | 1.45Å | |
| N10 | H70 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.53Å | |
| C44 | C46 | sing | 1.53Å | 1.52Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | O13 | doub | 1.21Å | 1.23Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| N11 | C47 | sing | 1.49Å | 1.46Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | C52 | sing | 1.51Å | 1.51Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| N14 | C51 | doub | 1.30Å | 1.30Å | |
| N12 | C51 | sing | 1.37Å | 1.38Å | |
| N12 | C50 | sing | 1.47Å | 1.50Å | |
| C51 | N13 | sing | 1.37Å | 1.39Å | |
| C50 | C49 | sing | 1.54Å | 1.59Å | |
| C52 | O14 | doub | 1.21Å | 1.23Å | |
| N13 | C49 | sing | 1.47Å | 1.50Å | |
| N11 | H75 | sing | 0.97Å | 1.00Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| C48 | H77 | sing | 1.09Å | 1.10Å | |
| C48 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C50 | H80 | sing | 1.09Å | 1.10Å | |
| N12 | H81 | sing | 0.97Å | 1.00Å | |
| N13 | H82 | sing | 0.97Å | 1.00Å | |
| N14 | H83 | sing | 0.97Å | 1.00Å | |
| H84 | C50 | sing | 1.09Å | 1.10Å | |
| N15 | C53 | sing | 1.48Å | 1.45Å | |
| N15 | H85 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.51Å | 1.53Å | |
| C53 | C55 | sing | 1.53Å | 1.54Å | |
| C53 | H86 | sing | 1.09Å | 1.10Å | |
| C54 | O15 | doub | 1.21Å | 1.23Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | C57 | sing | 1.53Å | 1.53Å | |
| C55 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | C58 | sing | 1.53Å | 1.50Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C56 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C57 | H91 | sing | 1.09Å | 1.10Å | |
| C57 | H92 | sing | 1.09Å | 1.10Å | |
| C58 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | H94 | sing | 1.09Å | 1.10Å | |
| C58 | H95 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | N3 | sing | 1.35Å | 1.36Å | |
| C18 | N4 | sing | 1.35Å | 1.29Å | |
| C21 | N6 | sing | 1.35Å | 1.29Å | |
| C30 | N7 | sing | 1.35Å | 1.37Å | |
| C32 | N8 | sing | 1.35Å | 1.33Å | |
| C38 | N9 | sing | 1.35Å | 1.35Å | |
| C43 | N10 | sing | 1.36Å | 1.32Å | |
| O11 | C54 | sing | 1.34Å | 1.45Å | |
| C45 | N11 | sing | 1.37Å | 1.33Å | |
| C52 | N15 | sing | 1.37Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C10 | 111.3° | 111.0° |
| C1 | N1 | H1 | 109.0° | 111.0° |
| N1 | C1 | C2 | 109.8° | 109.5° |
| N1 | C1 | C3 | 109.9° | 109.5° |
| N1 | C1 | H2 | 109.3° | 109.4° |
| C10 | N1 | H1 | 109.0° | 111.0° |
| N1 | C10 | H10 | 109.5° | 109.5° |
| N1 | C10 | H11 | 109.5° | 109.5° |
| N1 | C10 | H12 | 109.5° | 109.4° |
| C2 | C1 | C3 | 110.3° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C1 | C2 | O1 | 119.9° | 120.0° |
| C1 | C2 | N2 | 116.9° | 120.0° |
| C3 | C1 | H2 | 108.7° | 109.5° |
| C1 | C3 | C4 | 113.9° | 109.5° |
| C1 | C3 | H3 | 108.4° | 109.5° |
| C1 | C3 | H4 | 108.3° | 109.4° |
| O1 | C2 | N2 | 123.2° | 120.0° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C4 | C3 | H4 | 108.4° | 109.5° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C3 | C4 | C6 | 120.5° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| C5 | C4 | C6 | 118.7° | 120.0° |
| C4 | C5 | C7 | 120.8° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C4 | C6 | C8 | 120.8° | 120.0° |
| C4 | C6 | H6 | 119.6° | 120.0° |
| C7 | C5 | H5 | 119.6° | 119.9° |
| C5 | C7 | C9 | 119.9° | 120.0° |
| C5 | C7 | H7 | 120.0° | 120.1° |
| C8 | C6 | H6 | 119.6° | 120.0° |
| C6 | C8 | C9 | 119.9° | 120.0° |
| C6 | C8 | H8 | 120.0° | 120.0° |
| C9 | C7 | H7 | 120.0° | 120.0° |
| C7 | C9 | C8 | 119.9° | 120.0° |
| C7 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.1° | 120.0° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| C11 | N2 | H13 | 118.9° | 120.0° |
| N2 | C11 | C12 | 111.5° | 109.5° |
| N2 | C11 | C13 | 110.5° | 109.5° |
| N2 | C11 | H14 | 108.7° | 109.5° |
| C11 | N2 | C2 | 122.1° | 120.0° |
| H13 | N2 | C2 | 118.9° | 120.0° |
| C12 | C11 | C13 | 110.8° | 109.4° |
| C12 | C11 | H14 | 107.6° | 109.5° |
| C11 | C12 | O2 | 119.8° | 120.0° |
| C11 | C12 | N3 | 117.5° | 120.0° |
| C13 | C11 | H14 | 107.6° | 109.5° |
| C11 | C13 | C14 | 111.1° | 109.5° |
| C11 | C13 | C15 | 110.1° | 109.5° |
| C11 | C13 | H15 | 108.4° | 109.5° |
| O2 | C12 | N3 | 122.7° | 120.0° |
| C14 | C13 | C15 | 109.9° | 109.5° |
| C14 | C13 | H15 | 108.6° | 109.5° |
| C13 | C14 | C16 | 113.3° | 109.5° |
| C13 | C14 | H16 | 108.5° | 109.5° |
| C13 | C14 | H17 | 108.5° | 109.4° |
| C15 | C13 | H15 | 108.7° | 109.4° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.4° |
| C13 | C15 | H20 | 109.5° | 109.5° |
| C16 | C14 | H16 | 108.5° | 109.5° |
| C16 | C14 | H17 | 108.5° | 109.5° |
| C14 | C16 | H21 | 109.5° | 109.4° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.4° | 109.4° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| C17 | N3 | H24 | 118.9° | 119.9° |
| N3 | C17 | C18 | 110.5° | 109.5° |
| N3 | C17 | C19 | 111.4° | 109.4° |
| N3 | C17 | H25 | 109.9° | 109.5° |
| C17 | N3 | C12 | 122.1° | 120.0° |
| H24 | N3 | C12 | 118.9° | 120.1° |
| C18 | C17 | C19 | 106.8° | 109.5° |
| C18 | C17 | H25 | 109.1° | 109.5° |
| C17 | C18 | O3 | 121.9° | 120.0° |
| C17 | C18 | N4 | 115.0° | 120.0° |
| C19 | C17 | H25 | 109.1° | 109.4° |
| C17 | C19 | O4 | 111.4° | 109.5° |
| C17 | C19 | H26 | 109.0° | 109.4° |
| C17 | C19 | H27 | 109.0° | 109.5° |
| O3 | C18 | N4 | 122.6° | 120.0° |
| O4 | C19 | H26 | 109.0° | 109.4° |
| O4 | C19 | H27 | 109.0° | 109.5° |
| C19 | O4 | H28 | 109.5° | 114.0° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| C20 | N4 | H29 | 120.2° | 120.1° |
| N4 | C20 | C21 | 109.0° | 109.4° |
| N4 | C20 | C22 | 113.8° | 109.4° |
| N4 | C20 | H30 | 108.1° | 109.5° |
| C20 | N4 | C18 | 119.6° | 120.0° |
| H29 | N4 | C18 | 120.2° | 120.0° |
| C21 | C20 | C22 | 111.5° | 109.5° |
| C21 | C20 | H30 | 107.5° | 109.5° |
| C20 | C21 | O5 | 122.0° | 120.0° |
| C20 | C21 | N6 | 113.2° | 120.0° |
| C22 | C20 | H30 | 106.7° | 109.5° |
| C20 | C22 | C23 | 114.6° | 109.4° |
| C20 | C22 | H31 | 108.2° | 109.4° |
| C20 | C22 | H32 | 108.2° | 109.5° |
| O5 | C21 | N6 | 124.8° | 120.0° |
| C23 | C22 | H31 | 108.2° | 109.5° |
| C23 | C22 | H32 | 108.2° | 109.5° |
| C22 | C23 | C24 | 112.2° | 109.5° |
| C22 | C23 | H33 | 108.8° | 109.5° |
| C22 | C23 | H34 | 108.8° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| C24 | C23 | H33 | 108.8° | 109.5° |
| C24 | C23 | H34 | 108.8° | 109.4° |
| C23 | C24 | O6 | 121.1° | 120.0° |
| C23 | C24 | N5 | 116.1° | 120.0° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| O6 | C24 | N5 | 122.8° | 120.0° |
| C24 | N5 | H35 | 120.0° | 120.0° |
| C24 | N5 | H36 | 120.0° | 120.0° |
| H35 | N5 | H36 | 120.0° | 120.0° |
| C27 | C26 | C28 | 110.1° | 109.5° |
| C27 | C26 | C25 | 110.5° | 109.5° |
| C27 | C26 | H39 | 108.7° | 109.5° |
| C26 | C27 | H40 | 109.5° | 109.5° |
| C26 | C27 | H41 | 109.5° | 109.5° |
| C26 | C27 | H42 | 109.5° | 109.5° |
| C28 | C26 | C25 | 110.5° | 109.4° |
| C26 | C28 | C29 | 114.8° | 109.5° |
| C28 | C26 | H39 | 108.7° | 109.5° |
| C26 | C28 | H43 | 108.1° | 109.4° |
| C26 | C28 | H44 | 108.1° | 109.4° |
| C26 | C25 | N6 | 112.7° | 109.5° |
| C26 | C25 | C30 | 108.1° | 109.5° |
| C26 | C25 | H38 | 107.2° | 109.4° |
| C25 | C26 | H39 | 108.2° | 109.5° |
| C29 | C28 | H43 | 108.1° | 109.5° |
| C29 | C28 | H44 | 108.1° | 109.5° |
| C28 | C29 | H45 | 109.5° | 109.5° |
| C28 | C29 | H46 | 109.5° | 109.5° |
| C28 | C29 | H47 | 109.5° | 109.4° |
| N6 | C25 | C30 | 112.3° | 109.5° |
| C25 | N6 | H37 | 119.9° | 120.0° |
| N6 | C25 | H38 | 108.4° | 109.5° |
| C25 | N6 | C21 | 120.2° | 120.0° |
| C25 | C30 | O7 | 120.5° | 120.0° |
| C30 | C25 | H38 | 108.0° | 109.4° |
| C25 | C30 | N7 | 111.2° | 120.0° |
| O7 | C30 | N7 | 128.0° | 120.1° |
| H37 | N6 | C21 | 119.9° | 120.0° |
| H40 | C27 | H41 | 109.4° | 109.5° |
| H40 | C27 | H42 | 109.5° | 109.4° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H45 | C29 | H47 | 109.5° | 109.4° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| C31 | N7 | H48 | 117.2° | 120.0° |
| N7 | C31 | C32 | 112.0° | 109.5° |
| N7 | C31 | C33 | 113.0° | 109.5° |
| N7 | C31 | H49 | 109.2° | 109.4° |
| C31 | N7 | C30 | 125.7° | 120.0° |
| H48 | N7 | C30 | 117.2° | 120.1° |
| C32 | C31 | C33 | 106.4° | 109.5° |
| C32 | C31 | H49 | 108.3° | 109.5° |
| C31 | C32 | O8 | 122.2° | 120.0° |
| C31 | C32 | N8 | 111.7° | 120.0° |
| C33 | C31 | H49 | 107.7° | 109.5° |
| C31 | C33 | C34 | 108.1° | 109.4° |
| C31 | C33 | C35 | 113.6° | 109.5° |
| C31 | C33 | H50 | 108.1° | 109.5° |
| O8 | C32 | N8 | 126.1° | 120.0° |
| C34 | C33 | C35 | 109.6° | 109.5° |
| C34 | C33 | H50 | 108.7° | 109.5° |
| C33 | C34 | C36 | 114.7° | 109.4° |
| C33 | C34 | H51 | 108.1° | 109.4° |
| C33 | C34 | H52 | 108.2° | 109.5° |
| C35 | C33 | H50 | 108.6° | 109.5° |
| C33 | C35 | H53 | 109.5° | 109.5° |
| C33 | C35 | H54 | 109.5° | 109.5° |
| C33 | C35 | H55 | 109.5° | 109.5° |
| C36 | C34 | H51 | 108.2° | 109.4° |
| C36 | C34 | H52 | 108.1° | 109.5° |
| C34 | C36 | H56 | 109.5° | 109.4° |
| C34 | C36 | H57 | 109.5° | 109.5° |
| C34 | C36 | H58 | 109.5° | 109.5° |
| H51 | C34 | H52 | 109.5° | 109.5° |
| H53 | C35 | H54 | 109.5° | 109.4° |
| H53 | C35 | H55 | 109.5° | 109.5° |
| H54 | C35 | H55 | 109.4° | 109.5° |
| H56 | C36 | H57 | 109.5° | 109.5° |
| H56 | C36 | H58 | 109.4° | 109.5° |
| H57 | C36 | H58 | 109.5° | 109.5° |
| C37 | N8 | H59 | 117.5° | 120.0° |
| N8 | C37 | C38 | 110.4° | 109.5° |
| N8 | C37 | C39 | 113.2° | 109.5° |
| N8 | C37 | H60 | 108.1° | 109.5° |
| C37 | N8 | C32 | 124.9° | 120.0° |
| H59 | N8 | C32 | 117.6° | 120.0° |
| C38 | C37 | C39 | 109.7° | 109.4° |
| C38 | C37 | H60 | 107.7° | 109.4° |
| C37 | C38 | O9 | 119.0° | 120.0° |
| C37 | C38 | N9 | 115.8° | 120.0° |
| C39 | C37 | H60 | 107.4° | 109.5° |
| C37 | C39 | O10 | 111.7° | 109.5° |
| C37 | C39 | H61 | 108.9° | 109.5° |
| C37 | C39 | H62 | 108.9° | 109.5° |
| O9 | C38 | N9 | 124.5° | 120.0° |
| O10 | C39 | H61 | 108.9° | 109.5° |
| O10 | C39 | H62 | 108.9° | 109.5° |
| C39 | O10 | H63 | 109.5° | 114.0° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| C40 | N9 | H64 | 119.2° | 120.0° |
| N9 | C40 | C41 | 114.1° | 109.5° |
| N9 | C40 | C43 | 112.0° | 109.5° |
| N9 | C40 | H65 | 108.5° | 109.5° |
| C40 | N9 | C38 | 121.7° | 120.0° |
| H64 | N9 | C38 | 119.2° | 120.0° |
| C41 | C40 | C43 | 106.7° | 109.3° |
| C41 | C40 | H65 | 107.4° | 109.4° |
| C40 | C41 | C42 | 112.7° | 109.5° |
| C40 | C41 | O11 | 110.1° | 109.3° |
| C40 | C41 | H66 | 107.4° | 109.5° |
| C43 | C40 | H65 | 107.9° | 109.5° |
| C40 | C43 | O12 | 120.8° | 120.5° |
| C40 | C43 | N10 | 116.2° | 119.0° |
| C42 | C41 | O11 | 109.7° | 109.5° |
| C42 | C41 | H66 | 107.8° | 109.5° |
| C41 | C42 | H67 | 109.5° | 109.4° |
| C41 | C42 | H68 | 109.5° | 109.5° |
| C41 | C42 | H69 | 109.5° | 109.5° |
| O11 | C41 | H66 | 109.0° | 109.5° |
| C41 | O11 | C54 | 117.3° | 117.1° |
| H67 | C42 | H68 | 109.5° | 109.4° |
| H67 | C42 | H69 | 109.4° | 109.4° |
| H68 | C42 | H69 | 109.5° | 109.5° |
| O12 | C43 | N10 | 122.9° | 120.5° |
| C44 | N10 | H70 | 119.0° | 122.3° |
| N10 | C44 | C45 | 111.2° | 108.5° |
| N10 | C44 | C46 | 109.1° | 109.7° |
| N10 | C44 | H71 | 109.2° | 109.6° |
| C44 | N10 | C43 | 121.9° | 115.5° |
| H70 | N10 | C43 | 119.0° | 122.3° |
| C45 | C44 | C46 | 110.9° | 109.6° |
| C45 | C44 | H71 | 108.1° | 109.6° |
| C44 | C45 | O13 | 120.9° | 120.8° |
| C44 | C45 | N11 | 116.6° | 118.4° |
| C46 | C44 | H71 | 108.3° | 109.8° |
| C44 | C46 | H72 | 109.5° | 109.4° |
| C44 | C46 | H73 | 109.4° | 109.5° |
| C44 | C46 | H74 | 109.5° | 109.5° |
| O13 | C45 | N11 | 122.5° | 120.8° |
| H72 | C46 | H73 | 109.5° | 109.5° |
| H72 | C46 | H74 | 109.4° | 109.5° |
| H73 | C46 | H74 | 109.5° | 109.5° |
| N11 | C47 | C48 | 110.7° | 109.7° |
| N11 | C47 | C52 | 110.7° | 108.1° |
| C47 | N11 | H75 | 119.4° | 123.2° |
| N11 | C47 | H76 | 109.1° | 109.7° |
| C47 | N11 | C45 | 121.2° | 113.6° |
| C48 | C47 | C52 | 109.4° | 109.7° |
| C47 | C48 | C49 | 114.3° | 109.5° |
| C48 | C47 | H76 | 108.4° | 109.8° |
| C47 | C48 | H77 | 108.2° | 109.5° |
| C47 | C48 | H78 | 108.2° | 109.5° |
| C47 | C52 | O14 | 121.3° | 120.6° |
| C52 | C47 | H76 | 108.4° | 109.8° |
| C47 | C52 | N15 | 114.6° | 118.8° |
| C48 | C49 | C50 | 108.5° | 110.5° |
| C48 | C49 | N13 | 110.9° | 110.4° |
| C49 | C48 | H77 | 108.2° | 109.5° |
| C49 | C48 | H78 | 108.2° | 109.4° |
| C48 | C49 | H79 | 111.9° | 110.3° |
| N14 | C51 | N12 | 126.0° | 123.6° |
| N14 | C51 | N13 | 125.5° | 123.5° |
| C51 | N14 | H83 | 112.0° | 120.0° |
| C51 | N12 | C50 | 112.8° | 109.0° |
| N12 | C51 | N13 | 108.5° | 112.9° |
| C51 | N12 | H81 | 123.6° | 125.5° |
| N12 | C50 | C49 | 103.1° | 104.6° |
| N12 | C50 | H80 | 111.1° | 110.4° |
| C50 | N12 | H81 | 123.6° | 125.4° |
| N12 | C50 | H84 | 111.1° | 110.6° |
| C51 | N13 | C49 | 113.3° | 108.9° |
| C51 | N13 | H82 | 123.3° | 125.5° |
| C50 | C49 | N13 | 102.2° | 104.7° |
| C50 | C49 | H79 | 110.7° | 110.4° |
| C49 | C50 | H80 | 111.0° | 110.4° |
| C49 | C50 | H84 | 111.1° | 110.4° |
| O14 | C52 | N15 | 124.0° | 120.7° |
| N13 | C49 | H79 | 112.1° | 110.4° |
| C49 | N13 | H82 | 123.3° | 125.6° |
| H75 | N11 | C45 | 119.4° | 123.2° |
| H77 | C48 | H78 | 109.5° | 109.4° |
| H80 | C50 | H84 | 109.5° | 110.4° |
| C53 | N15 | H85 | 118.9° | 122.2° |
| N15 | C53 | C54 | 109.2° | 108.5° |
| N15 | C53 | C55 | 111.1° | 109.6° |
| N15 | C53 | H86 | 109.5° | 109.6° |
| C53 | N15 | C52 | 122.3° | 115.5° |
| H85 | N15 | C52 | 118.8° | 122.3° |
| C54 | C53 | C55 | 110.4° | 109.6° |
| C54 | C53 | H86 | 108.4° | 109.6° |
| C53 | C54 | O15 | 121.0° | 120.1° |
| C53 | C54 | O11 | 115.3° | 119.9° |
| C55 | C53 | H86 | 108.3° | 109.8° |
| C53 | C55 | C56 | 109.9° | 109.5° |
| C53 | C55 | C57 | 111.1° | 109.5° |
| C53 | C55 | H87 | 108.4° | 109.5° |
| O15 | C54 | O11 | 123.7° | 120.0° |
| C56 | C55 | C57 | 110.3° | 109.5° |
| C56 | C55 | H87 | 108.6° | 109.5° |
| C55 | C56 | C58 | 113.4° | 109.5° |
| C55 | C56 | H88 | 108.5° | 109.5° |
| C55 | C56 | H89 | 108.5° | 109.5° |
| C57 | C55 | H87 | 108.5° | 109.4° |
| C55 | C57 | H90 | 109.5° | 109.4° |
| C55 | C57 | H91 | 109.4° | 109.4° |
| C55 | C57 | H92 | 109.5° | 109.4° |
| C58 | C56 | H88 | 108.5° | 109.5° |
| C58 | C56 | H89 | 108.5° | 109.5° |
| C56 | C58 | H93 | 109.5° | 109.5° |
| C56 | C58 | H94 | 109.5° | 109.5° |
| C56 | C58 | H95 | 109.5° | 109.5° |
| H88 | C56 | H89 | 109.5° | 109.4° |
| H90 | C57 | H91 | 109.5° | 109.5° |
| H90 | C57 | H92 | 109.5° | 109.5° |
| H91 | C57 | H92 | 109.5° | 109.6° |
| H93 | C58 | H94 | 109.4° | 109.5° |
| H93 | C58 | H95 | 109.5° | 109.5° |
| H94 | C58 | H95 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C10 | H1 | 120.3° | 123.9° |
| N1 | C1 | C2 | C3 | 121.3° | 120.0° |
| N1 | C1 | C2 | H2 | 119.6° | 120.0° |
| N1 | C1 | C3 | H2 | 119.6° | 120.0° |
| N1 | C1 | C2 | O1 | 50.6° | 25.3° |
| N1 | C1 | C3 | C4 | 145.9° | 65.0° |
| N1 | C1 | C3 | H3 | 93.5° | 175.0° |
| N1 | C1 | C3 | H4 | 25.2° | 55.0° |
| C1 | N1 | C10 | H10 | 180.0° | 55.0° |
| C1 | N1 | C10 | H11 | 60.0° | 65.0° |
| C1 | N1 | C10 | H12 | 60.0° | 175.0° |
| N1 | C1 | C2 | N2 | 128.8° | 154.8° |
| C10 | N1 | C1 | C2 | 162.9° | 80.5° |
| C10 | N1 | C1 | C3 | 75.6° | 159.5° |
| C10 | N1 | C1 | H2 | 43.6° | 39.5° |
| N1 | C10 | H10 | H11 | 120.0° | 120.0° |
| N1 | C10 | H10 | H12 | 120.0° | 120.0° |
| N1 | C10 | H11 | H12 | 120.0° | 119.9° |
| H1 | N1 | C1 | C2 | 76.8° | 155.6° |
| H1 | N1 | C1 | C3 | 44.6° | 35.5° |
| H1 | N1 | C1 | H2 | 163.9° | 84.5° |
| H1 | N1 | C10 | H10 | 59.7° | 179.0° |
| H1 | N1 | C10 | H11 | 179.7° | 58.9° |
| H1 | N1 | C10 | H12 | 60.3° | 61.1° |
| C2 | C1 | C3 | H2 | 119.2° | 120.0° |
| C1 | C2 | O1 | N2 | 179.4° | 180.0° |
| C2 | C1 | C3 | C4 | 92.9° | 175.0° |
| C2 | C1 | C3 | H3 | 27.7° | 54.9° |
| C2 | C1 | C3 | H4 | 146.4° | 65.0° |
| C1 | C2 | N2 | C11 | 179.5° | 180.0° |
| C1 | C2 | N2 | H13 | 0.5° | 0.1° |
| C3 | C1 | C2 | O1 | 70.6° | 94.8° |
| C1 | C3 | C4 | H3 | 120.7° | 120.1° |
| C1 | C3 | C4 | H4 | 120.7° | 120.0° |
| C1 | C3 | H3 | H4 | 118.0° | 120.0° |
| C1 | C3 | C4 | C5 | 97.3° | 90.0° |
| C1 | C3 | C4 | C6 | 82.4° | 90.3° |
| C3 | C1 | C2 | N2 | 109.9° | 85.2° |
| H2 | C1 | C2 | O1 | 170.2° | 145.2° |
| H2 | C1 | C3 | C4 | 26.3° | 55.0° |
| H2 | C1 | C3 | H3 | 146.9° | 65.1° |
| H2 | C1 | C3 | H4 | 94.4° | 175.0° |
| H2 | C1 | C2 | N2 | 9.3° | 34.8° |
| O1 | C2 | N2 | C11 | 0.0° | 0.0° |
| O1 | C2 | N2 | H13 | 179.9° | 180.0° |
| C4 | C3 | H3 | H4 | 118.0° | 120.0° |
| C3 | C4 | C5 | C6 | 179.7° | 179.7° |
| C3 | C4 | C5 | C7 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 0.1° | 0.0° |
| C3 | C4 | C6 | C8 | 179.9° | 180.0° |
| C3 | C4 | C6 | H6 | 0.1° | 0.0° |
| H3 | C3 | C4 | C5 | 23.3° | 30.0° |
| H3 | C3 | C4 | C6 | 156.9° | 149.7° |
| H4 | C3 | C4 | C5 | 142.0° | 150.0° |
| H4 | C3 | C4 | C6 | 38.3° | 29.7° |
| C4 | C5 | C7 | H5 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.3° | 0.3° |
| C5 | C4 | C6 | H6 | 179.6° | 179.7° |
| C4 | C5 | C7 | C9 | 0.4° | 0.0° |
| C4 | C5 | C7 | H7 | 179.6° | 179.9° |
| C6 | C4 | C5 | C7 | 0.4° | 0.3° |
| C6 | C4 | C5 | H5 | 179.7° | 179.7° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.3° | 0.0° |
| C4 | C6 | C8 | H8 | 179.7° | 180.0° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.4° | 0.3° |
| C5 | C7 | C9 | H9 | 179.6° | 180.0° |
| H5 | C5 | C7 | C9 | 179.6° | 180.0° |
| H5 | C5 | C7 | H7 | 0.4° | 0.1° |
| C6 | C8 | C9 | C7 | 0.4° | 0.3° |
| C6 | C8 | C9 | H8 | 180.0° | 180.0° |
| C6 | C8 | C9 | H9 | 179.7° | 180.0° |
| H6 | C6 | C8 | C9 | 179.6° | 180.0° |
| H6 | C6 | C8 | H8 | 0.3° | 0.0° |
| C7 | C9 | C8 | H9 | 180.0° | 179.7° |
| C7 | C9 | C8 | H8 | 179.7° | 179.7° |
| H7 | C7 | C9 | C8 | 179.6° | 179.8° |
| H7 | C7 | C9 | H9 | 0.4° | 0.1° |
| H8 | C8 | C9 | H9 | 0.3° | 0.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.1° |
| C11 | N2 | H13 | C2 | 180.0° | 179.9° |
| N2 | C11 | C12 | C13 | 123.5° | 120.0° |
| N2 | C11 | C12 | H14 | 119.1° | 120.1° |
| N2 | C11 | C13 | H14 | 118.5° | 120.1° |
| N2 | C11 | C12 | O2 | 54.0° | 0.1° |
| N2 | C11 | C13 | C14 | 54.0° | 60.0° |
| N2 | C11 | C13 | C15 | 67.9° | 60.0° |
| N2 | C11 | C13 | H15 | 173.3° | 180.0° |
| N2 | C11 | C12 | N3 | 126.5° | 180.0° |
| H13 | N2 | C11 | C12 | 31.1° | 24.9° |
| H13 | N2 | C11 | C13 | 92.5° | 95.0° |
| H13 | N2 | C11 | H14 | 149.6° | 145.0° |
| C12 | C11 | C13 | H14 | 117.4° | 120.0° |
| C11 | C12 | O2 | N3 | 179.4° | 179.9° |
| C12 | C11 | C13 | C14 | 70.1° | 60.0° |
| C12 | C11 | C13 | C15 | 168.0° | 180.0° |
| C12 | C11 | C13 | H15 | 49.2° | 60.0° |
| C11 | C12 | N3 | C17 | 178.4° | 180.0° |
| C11 | C12 | N3 | H24 | 1.6° | 0.1° |
| C12 | C11 | N2 | C2 | 148.8° | 155.0° |
| C13 | C11 | C12 | O2 | 69.5° | 120.0° |
| C11 | C13 | C14 | C15 | 122.0° | 120.0° |
| C11 | C13 | C14 | H15 | 119.2° | 120.0° |
| C11 | C13 | C15 | H15 | 118.6° | 120.0° |
| C11 | C13 | C14 | C16 | 175.7° | 175.0° |
| C11 | C13 | C14 | H16 | 63.8° | 65.0° |
| C11 | C13 | C14 | H17 | 55.1° | 55.0° |
| C11 | C13 | C15 | H18 | 180.0° | 180.0° |
| C11 | C13 | C15 | H19 | 60.0° | 60.0° |
| C11 | C13 | C15 | H20 | 60.0° | 60.0° |
| C13 | C11 | N2 | C2 | 87.5° | 85.1° |
| C13 | C11 | C12 | N3 | 109.9° | 60.0° |
| H14 | C11 | C12 | O2 | 173.2° | 120.0° |
| H14 | C11 | C13 | C14 | 172.5° | 180.0° |
| H14 | C11 | C13 | C15 | 50.6° | 60.0° |
| H14 | C11 | C13 | H15 | 68.2° | 59.9° |
| H14 | C11 | N2 | C2 | 30.3° | 35.0° |
| H14 | C11 | C12 | N3 | 7.4° | 59.9° |
| O2 | C12 | N3 | C17 | 2.2° | 0.1° |
| O2 | C12 | N3 | H24 | 177.7° | 180.0° |
| C14 | C13 | C15 | H15 | 118.8° | 120.0° |
| C13 | C14 | C16 | H16 | 120.6° | 120.0° |
| C13 | C14 | C16 | H17 | 120.6° | 120.0° |
| C13 | C14 | H16 | H17 | 118.2° | 120.0° |
| C14 | C13 | C15 | H18 | 57.4° | 60.0° |
| C14 | C13 | C15 | H19 | 177.4° | 180.0° |
| C14 | C13 | C15 | H20 | 62.7° | 60.1° |
| C13 | C14 | C16 | H21 | 180.0° | 180.0° |
| C13 | C14 | C16 | H22 | 60.0° | 60.0° |
| C13 | C14 | C16 | H23 | 60.0° | 60.0° |
| C15 | C13 | C14 | C16 | 62.3° | 65.0° |
| C15 | C13 | C14 | H16 | 58.2° | 55.0° |
| C15 | C13 | C14 | H17 | 177.1° | 175.0° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H20 | 120.0° | 120.0° |
| C13 | C15 | H19 | H20 | 120.0° | 119.9° |
| H15 | C13 | C14 | C16 | 56.5° | 55.0° |
| H15 | C13 | C14 | H16 | 177.1° | 175.0° |
| H15 | C13 | C14 | H17 | 64.1° | 65.0° |
| H15 | C13 | C15 | H18 | 61.4° | 60.0° |
| H15 | C13 | C15 | H19 | 58.6° | 60.1° |
| H15 | C13 | C15 | H20 | 178.6° | 180.0° |
| C16 | C14 | H16 | H17 | 118.2° | 120.1° |
| C14 | C16 | H21 | H22 | 120.0° | 120.0° |
| C14 | C16 | H21 | H23 | 120.0° | 120.0° |
| C14 | C16 | H22 | H23 | 120.0° | 120.0° |
| H16 | C14 | C16 | H21 | 59.4° | 60.0° |
| H16 | C14 | C16 | H22 | 179.4° | NaN° |
| H16 | C14 | C16 | H23 | 60.6° | 60.0° |
| H17 | C14 | C16 | H21 | 59.4° | 60.0° |
| H17 | C14 | C16 | H22 | 60.6° | 60.0° |
| H17 | C14 | C16 | H23 | 179.4° | 180.0° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
| C17 | N3 | H24 | C12 | 180.0° | 179.9° |
| N3 | C17 | C18 | C19 | 121.3° | 120.0° |
| N3 | C17 | C18 | H25 | 120.9° | 120.0° |
| N3 | C17 | C19 | H25 | 121.4° | 119.9° |
| N3 | C17 | C18 | O3 | 51.6° | 0.0° |
| N3 | C17 | C19 | O4 | 0.5° | 65.0° |
| N3 | C17 | C19 | H26 | 120.8° | 175.0° |
| N3 | C17 | C19 | H27 | 119.8° | 55.0° |
| N3 | C17 | C18 | N4 | 136.2° | 180.0° |
| H24 | N3 | C17 | C18 | 64.3° | 25.0° |
| H24 | N3 | C17 | C19 | 54.3° | 95.0° |
| H24 | N3 | C17 | H25 | 175.3° | 145.0° |
| C18 | C17 | C19 | H25 | 117.8° | 120.1° |
| C17 | C18 | O3 | N4 | 171.6° | 180.0° |
| C18 | C17 | C19 | O4 | 120.2° | 54.9° |
| C18 | C17 | C19 | H26 | 0.1° | 65.0° |
| C18 | C17 | C19 | H27 | 119.5° | 175.0° |
| C17 | C18 | N4 | C20 | 175.8° | 180.0° |
| C17 | C18 | N4 | H29 | 4.2° | 0.0° |
| C18 | C17 | N3 | C12 | 115.7° | 155.0° |
| C19 | C17 | C18 | O3 | 69.7° | 120.0° |
| C17 | C19 | O4 | H26 | 120.3° | 119.9° |
| C17 | C19 | O4 | H27 | 120.3° | 120.1° |
| C17 | C19 | H26 | H27 | 119.1° | 120.1° |
| C17 | C19 | O4 | H28 | 180.0° | 180.0° |
| C19 | C17 | N3 | C12 | 125.8° | 85.0° |
| C19 | C17 | C18 | N4 | 102.5° | 60.0° |
| H25 | C17 | C18 | O3 | 172.5° | 120.0° |
| H25 | C17 | C19 | O4 | 122.0° | 175.0° |
| H25 | C17 | C19 | H26 | 117.7° | 55.1° |
| H25 | C17 | C19 | H27 | 1.7° | 65.0° |
| H25 | C17 | N3 | C12 | 4.8° | 34.9° |
| H25 | C17 | C18 | N4 | 15.3° | 60.0° |
| O3 | C18 | N4 | C20 | 12.0° | 0.0° |
| O3 | C18 | N4 | H29 | 168.0° | 180.0° |
| O4 | C19 | H26 | H27 | 119.1° | 120.0° |
| H26 | C19 | O4 | H28 | 59.7° | 60.0° |
| H27 | C19 | O4 | H28 | 59.7° | 60.0° |
| C20 | N4 | H29 | C18 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 126.4° | 119.9° |
| N4 | C20 | C21 | H30 | 116.9° | 120.1° |
| N4 | C20 | C22 | H30 | 119.2° | 120.0° |
| N4 | C20 | C21 | O5 | 6.5° | 0.0° |
| N4 | C20 | C22 | C23 | 144.1° | 65.0° |
| N4 | C20 | C22 | H31 | 95.1° | 175.0° |
| N4 | C20 | C22 | H32 | 23.4° | 55.0° |
| N4 | C20 | C21 | N6 | 172.6° | 180.0° |
| H29 | N4 | C20 | C21 | 30.6° | 25.0° |
| H29 | N4 | C20 | C22 | 94.5° | 95.0° |
| H29 | N4 | C20 | H30 | 147.1° | 145.0° |
| C21 | C20 | C22 | H30 | 117.1° | 120.0° |
| C20 | C21 | O5 | N6 | 179.0° | 180.0° |
| C21 | C20 | C22 | C23 | 92.1° | 175.0° |
| C21 | C20 | C22 | H31 | 28.6° | 55.0° |
| C21 | C20 | C22 | H32 | 147.1° | 65.0° |
| C20 | C21 | N6 | C25 | 179.7° | 180.0° |
| C20 | C21 | N6 | H37 | 0.2° | 0.0° |
| C21 | C20 | N4 | C18 | 149.4° | 155.0° |
| C22 | C20 | C21 | O5 | 119.9° | 120.0° |
| C20 | C22 | C23 | H31 | 120.7° | 120.0° |
| C20 | C22 | C23 | H32 | 120.8° | 120.0° |
| C20 | C22 | H31 | H32 | 117.7° | 120.0° |
| C20 | C22 | C23 | C24 | 133.7° | 180.0° |
| C20 | C22 | C23 | H33 | 105.8° | 60.0° |
| C20 | C22 | C23 | H34 | 13.3° | 60.0° |
| C22 | C20 | N4 | C18 | 85.5° | 85.0° |
| C22 | C20 | C21 | N6 | 60.9° | 60.0° |
| H30 | C20 | C21 | O5 | 123.4° | 120.0° |
| H30 | C20 | C22 | C23 | 25.0° | 55.0° |
| H30 | C20 | C22 | H31 | 145.7° | 65.0° |
| H30 | C20 | C22 | H32 | 95.8° | 175.0° |
| H30 | C20 | N4 | C18 | 32.9° | 35.0° |
| H30 | C20 | C21 | N6 | 55.7° | 60.0° |
| O5 | C21 | N6 | C25 | 0.6° | 0.1° |
| O5 | C21 | N6 | H37 | 179.3° | 180.0° |
| C23 | C22 | H31 | H32 | 117.7° | 120.0° |
| C22 | C23 | C24 | H33 | 120.4° | 120.0° |
| C22 | C23 | C24 | H34 | 120.4° | 120.0° |
| C22 | C23 | H33 | H34 | 118.7° | 120.0° |
| C22 | C23 | C24 | O6 | 145.9° | 0.1° |
| C22 | C23 | C24 | N5 | 34.0° | 180.0° |
| H31 | C22 | C23 | C24 | 13.0° | 60.0° |
| H31 | C22 | C23 | H33 | 133.4° | 180.0° |
| H31 | C22 | C23 | H34 | 107.4° | 60.0° |
| H32 | C22 | C23 | C24 | 105.5° | 60.0° |
| H32 | C22 | C23 | H33 | 14.9° | 60.0° |
| H32 | C22 | C23 | H34 | 134.1° | NaN° |
| C24 | C23 | H33 | H34 | 118.8° | 120.0° |
| C23 | C24 | O6 | N5 | 180.0° | 179.9° |
| C23 | C24 | N5 | H35 | 180.0° | 0.0° |
| C23 | C24 | N5 | H36 | 0.0° | 179.9° |
| H33 | C23 | C24 | O6 | 25.5° | 119.9° |
| H33 | C23 | C24 | N5 | 154.4° | 60.0° |
| H34 | C23 | C24 | O6 | 93.6° | 120.1° |
| H34 | C23 | C24 | N5 | 86.4° | 60.0° |
| O6 | C24 | N5 | H35 | 0.0° | 180.0° |
| O6 | C24 | N5 | H36 | 180.0° | 0.0° |
| C24 | N5 | H35 | H36 | 180.0° | 180.0° |
| C27 | C26 | C28 | C25 | 122.4° | 120.0° |
| C27 | C26 | C28 | H39 | 119.0° | 120.1° |
| C27 | C26 | C25 | H39 | 118.9° | 120.1° |
| C27 | C26 | C28 | C29 | 64.0° | 174.6° |
| C27 | C26 | C25 | N6 | 150.3° | 53.3° |
| C27 | C26 | C25 | C30 | 85.0° | 66.7° |
| C27 | C26 | C25 | H38 | 31.2° | 173.3° |
| C26 | C27 | H40 | H41 | 120.0° | 120.0° |
| C26 | C27 | H40 | H42 | 120.0° | 120.0° |
| C26 | C27 | H41 | H42 | 120.0° | 120.0° |
| C27 | C26 | C28 | H43 | 56.8° | 54.6° |
| C27 | C26 | C28 | H44 | 175.3° | 65.4° |
| C28 | C26 | C25 | H39 | 118.9° | 120.0° |
| C26 | C28 | C29 | H43 | 120.8° | 120.0° |
| C26 | C28 | C29 | H44 | 120.8° | 120.0° |
| C28 | C26 | C25 | N6 | 87.6° | 66.6° |
| C28 | C26 | C25 | C30 | 37.1° | 173.3° |
| C28 | C26 | C25 | H38 | 153.3° | 53.4° |
| C28 | C26 | C27 | H40 | 180.0° | 64.9° |
| C28 | C26 | C27 | H41 | 60.0° | 175.0° |
| C28 | C26 | C27 | H42 | 60.0° | 55.0° |
| C26 | C28 | H43 | H44 | 117.6° | 119.9° |
| C26 | C28 | C29 | H45 | 180.0° | 175.0° |
| C26 | C28 | C29 | H46 | 60.0° | 55.0° |
| C26 | C28 | C29 | H47 | 60.0° | 65.1° |
| C25 | C26 | C28 | C29 | 173.7° | 65.5° |
| C26 | C25 | N6 | C30 | 122.4° | 120.0° |
| C26 | C25 | N6 | H38 | 118.4° | 120.0° |
| C26 | C25 | C30 | H38 | 115.6° | 119.9° |
| C26 | C25 | C30 | O7 | 114.5° | 121.6° |
| C26 | C25 | N6 | H37 | 138.8° | 94.9° |
| C25 | C26 | C27 | H40 | 57.6° | 175.1° |
| C25 | C26 | C27 | H41 | 62.4° | 55.1° |
| C25 | C26 | C27 | H42 | 177.6° | 64.9° |
| C25 | C26 | C28 | H43 | 65.5° | 174.5° |
| C25 | C26 | C28 | H44 | 52.9° | 54.6° |
| C26 | C25 | N6 | C21 | 41.2° | 85.0° |
| C26 | C25 | C30 | N7 | 70.5° | 58.4° |
| C29 | C28 | C26 | H39 | 55.0° | 54.5° |
| C29 | C28 | H43 | H44 | 117.5° | 120.1° |
| C28 | C29 | H45 | H46 | 120.0° | 120.0° |
| C28 | C29 | H45 | H47 | 120.0° | 119.9° |
| C28 | C29 | H46 | H47 | 120.0° | 120.0° |
| N6 | C25 | C30 | H38 | 119.4° | 120.0° |
| N6 | C25 | C30 | O7 | 10.5° | 1.6° |
| C25 | N6 | H37 | C21 | 180.0° | 179.9° |
| N6 | C25 | C26 | H39 | 31.3° | 173.4° |
| N6 | C25 | C30 | N7 | 164.5° | 178.4° |
| C25 | C30 | O7 | N7 | 174.0° | 180.0° |
| C30 | C25 | N6 | H37 | 16.4° | 25.1° |
| C30 | C25 | C26 | H39 | 156.1° | 53.3° |
| C25 | C30 | N7 | C31 | 177.8° | 175.9° |
| C25 | C30 | N7 | H48 | 2.2° | 4.1° |
| C30 | C25 | N6 | C21 | 163.6° | 155.0° |
| O7 | C30 | C25 | H38 | 129.9° | 118.4° |
| O7 | C30 | N7 | C31 | 7.7° | 4.1° |
| O7 | C30 | N7 | H48 | 172.3° | 175.9° |
| H37 | N6 | C25 | H38 | 102.8° | 145.1° |
| H38 | C25 | C26 | H39 | 87.8° | 66.6° |
| H38 | C25 | N6 | C21 | 77.2° | 35.0° |
| H38 | C25 | C30 | N7 | 45.1° | 61.6° |
| H39 | C26 | C27 | H40 | 61.0° | 55.1° |
| H39 | C26 | C27 | H41 | 179.0° | 65.0° |
| H39 | C26 | C27 | H42 | 59.0° | 175.1° |
| H39 | C26 | C28 | H43 | 175.8° | 65.5° |
| H39 | C26 | C28 | H44 | 65.7° | 174.5° |
| H40 | C27 | H41 | H42 | 120.0° | 120.0° |
| H43 | C28 | C29 | H45 | 59.2° | 65.0° |
| H43 | C28 | C29 | H46 | 179.2° | 175.0° |
| H43 | C28 | C29 | H47 | 60.8° | 54.9° |
| H44 | C28 | C29 | H45 | 59.2° | 55.0° |
| H44 | C28 | C29 | H46 | 60.8° | 65.0° |
| H44 | C28 | C29 | H47 | 179.2° | 174.9° |
| H45 | C29 | H46 | H47 | 120.0° | 120.0° |
| C31 | N7 | H48 | C30 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 123.9° | 120.0° |
| N7 | C31 | C32 | H49 | 120.5° | 120.0° |
| N7 | C31 | C33 | H49 | 120.7° | 120.0° |
| N7 | C31 | C32 | O8 | 27.9° | 4.2° |
| N7 | C31 | C33 | C34 | 55.5° | 52.6° |
| N7 | C31 | C33 | C35 | 66.4° | 67.4° |
| N7 | C31 | C33 | H50 | 173.0° | 172.6° |
| N7 | C31 | C32 | N8 | 151.9° | 175.9° |
| H48 | N7 | C31 | C32 | 54.7° | 30.7° |
| H48 | N7 | C31 | C33 | 65.5° | 89.3° |
| H48 | N7 | C31 | H49 | 174.6° | 150.7° |
| C32 | C31 | C33 | H49 | 116.0° | 120.0° |
| C31 | C32 | O8 | N8 | 179.8° | 180.0° |
| C32 | C31 | C33 | C34 | 67.8° | 67.4° |
| C32 | C31 | C33 | C35 | 170.3° | 172.6° |
| C32 | C31 | C33 | H50 | 49.8° | 52.6° |
| C31 | C32 | N8 | C37 | 176.2° | 175.0° |
| C31 | C32 | N8 | H59 | 3.7° | 5.1° |
| C32 | C31 | N7 | C30 | 125.4° | 149.3° |
| C33 | C31 | C32 | O8 | 96.0° | 124.2° |
| C31 | C33 | C34 | C35 | 124.3° | 119.9° |
| C31 | C33 | C34 | H50 | 117.1° | 120.0° |
| C31 | C33 | C35 | H50 | 120.3° | 120.0° |
| C31 | C33 | C34 | C36 | 163.3° | 68.7° |
| C31 | C33 | C34 | H51 | 75.9° | 171.4° |
| C31 | C33 | C34 | H52 | 42.5° | 51.3° |
| C31 | C33 | C35 | H53 | 180.0° | 55.1° |
| C31 | C33 | C35 | H54 | 60.0° | 175.0° |
| C31 | C33 | C35 | H55 | 60.0° | 64.9° |
| C33 | C31 | N7 | C30 | 114.5° | 90.7° |
| C33 | C31 | C32 | N8 | 84.2° | 55.9° |
| H49 | C31 | C32 | O8 | 148.4° | 115.8° |
| H49 | C31 | C33 | C34 | 176.2° | 172.6° |
| H49 | C31 | C33 | C35 | 54.3° | 52.6° |
| H49 | C31 | C33 | H50 | 66.2° | 67.4° |
| H49 | C31 | N7 | C30 | 5.4° | 29.3° |
| H49 | C31 | C32 | N8 | 31.5° | 64.1° |
| O8 | C32 | N8 | C37 | 3.9° | 5.0° |
| O8 | C32 | N8 | H59 | 176.1° | 175.0° |
| C34 | C33 | C35 | H50 | 118.7° | 120.1° |
| C33 | C34 | C36 | H51 | 120.8° | 119.9° |
| C33 | C34 | C36 | H52 | 120.8° | 120.0° |
| C33 | C34 | H51 | H52 | 117.6° | 120.0° |
| C34 | C33 | C35 | H53 | 59.0° | 64.8° |
| C34 | C33 | C35 | H54 | 179.0° | 55.1° |
| C34 | C33 | C35 | H55 | 61.0° | 175.1° |
| C33 | C34 | C36 | H56 | 180.0° | 70.6° |
| C33 | C34 | C36 | H57 | 60.0° | 49.4° |
| C33 | C34 | C36 | H58 | 60.0° | 169.5° |
| C35 | C33 | C34 | C36 | 72.4° | 171.4° |
| C35 | C33 | C34 | H51 | 48.4° | 51.4° |
| C35 | C33 | C34 | H52 | 166.8° | 68.6° |
| C33 | C35 | H53 | H54 | 120.0° | 120.0° |
| C33 | C35 | H53 | H55 | 120.0° | 120.0° |
| C33 | C35 | H54 | H55 | 120.0° | 120.0° |
| H50 | C33 | C34 | C36 | 46.2° | 51.3° |
| H50 | C33 | C34 | H51 | 166.9° | 68.6° |
| H50 | C33 | C34 | H52 | 74.6° | 171.3° |
| H50 | C33 | C35 | H53 | 59.7° | 175.1° |
| H50 | C33 | C35 | H54 | 60.3° | 64.9° |
| H50 | C33 | C35 | H55 | 179.7° | 55.1° |
| C36 | C34 | H51 | H52 | 117.6° | 120.0° |
| C34 | C36 | H56 | H57 | 120.0° | 120.0° |
| C34 | C36 | H56 | H58 | 120.0° | 119.9° |
| C34 | C36 | H57 | H58 | 120.0° | 120.0° |
| H51 | C34 | C36 | H56 | 59.2° | 169.5° |
| H51 | C34 | C36 | H57 | 179.3° | 70.5° |
| H51 | C34 | C36 | H58 | 60.7° | 49.5° |
| H52 | C34 | C36 | H56 | 59.2° | 49.5° |
| H52 | C34 | C36 | H57 | 60.8° | 169.5° |
| H52 | C34 | C36 | H58 | 179.2° | 70.5° |
| H53 | C35 | H54 | H55 | 120.0° | 120.0° |
| H56 | C36 | H57 | H58 | 120.0° | 120.0° |
| C37 | N8 | H59 | C32 | 180.0° | 180.0° |
| N8 | C37 | C38 | C39 | 125.5° | 120.0° |
| N8 | C37 | C38 | H60 | 117.9° | 120.0° |
| N8 | C37 | C39 | H60 | 119.3° | 120.0° |
| N8 | C37 | C38 | O9 | 17.5° | 0.0° |
| N8 | C37 | C39 | O10 | 61.4° | 65.0° |
| N8 | C37 | C39 | H61 | 58.9° | 175.0° |
| N8 | C37 | C39 | H62 | 178.3° | 55.0° |
| N8 | C37 | C38 | N9 | 171.4° | 180.0° |
| H59 | N8 | C37 | C38 | 12.6° | 25.0° |
| H59 | N8 | C37 | C39 | 110.9° | 95.0° |
| H59 | N8 | C37 | H60 | 130.2° | 144.9° |
| C38 | C37 | C39 | H60 | 116.8° | 119.9° |
| C37 | C38 | O9 | N9 | 170.2° | 179.9° |
| C38 | C37 | C39 | O10 | 174.7° | 55.0° |
| C38 | C37 | C39 | H61 | 65.0° | 65.0° |
| C38 | C37 | C39 | H62 | 54.4° | 175.0° |
| C37 | C38 | N9 | C40 | 175.3° | 180.0° |
| C37 | C38 | N9 | H64 | 4.7° | 0.0° |
| C38 | C37 | N8 | C32 | 167.3° | 155.0° |
| C39 | C37 | C38 | O9 | 143.0° | 120.1° |
| C37 | C39 | O10 | H61 | 120.3° | 120.0° |
| C37 | C39 | O10 | H62 | 120.3° | 120.0° |
| C37 | C39 | H61 | H62 | 119.0° | 120.0° |
| C37 | C39 | O10 | H63 | 18.1° | 180.0° |
| C39 | C37 | N8 | C32 | 69.2° | 85.0° |
| C39 | C37 | C38 | N9 | 45.9° | 60.0° |
| H60 | C37 | C38 | O9 | 100.4° | 120.0° |
| H60 | C37 | C39 | O10 | 57.9° | 175.0° |
| H60 | C37 | C39 | H61 | 178.2° | 54.9° |
| H60 | C37 | C39 | H62 | 62.4° | 65.1° |
| H60 | C37 | N8 | C32 | 49.7° | 35.0° |
| H60 | C37 | C38 | N9 | 70.7° | 59.9° |
| O9 | C38 | N9 | C40 | 14.2° | 0.0° |
| O9 | C38 | N9 | H64 | 165.8° | 180.0° |
| O10 | C39 | H61 | H62 | 119.0° | 120.0° |
| H61 | C39 | O10 | H63 | 102.2° | 60.0° |
| H62 | C39 | O10 | H63 | 138.4° | 60.0° |
| C40 | N9 | H64 | C38 | 180.0° | 180.0° |
| N9 | C40 | C41 | C43 | 124.2° | 120.0° |
| N9 | C40 | C41 | H65 | 120.3° | 120.0° |
| N9 | C40 | C43 | H65 | 119.3° | 120.1° |
| N9 | C40 | C41 | C42 | 47.9° | 4.7° |
| N9 | C40 | C41 | O11 | 75.0° | 115.2° |
| N9 | C40 | C41 | H66 | 166.5° | 124.8° |
| N9 | C40 | C43 | O12 | 163.8° | 134.9° |
| N9 | C40 | C43 | N10 | 16.6° | 45.0° |
| H64 | N9 | C40 | C41 | 39.6° | 65.1° |
| H64 | N9 | C40 | C43 | 81.7° | 54.8° |
| H64 | N9 | C40 | H65 | 159.3° | 174.8° |
| C41 | C40 | C43 | H65 | 115.1° | 119.9° |
| C40 | C41 | C42 | O11 | 123.1° | 119.8° |
| C40 | C41 | C42 | H66 | 118.3° | 120.0° |
| C40 | C41 | O11 | H66 | 117.5° | 120.0° |
| C40 | C41 | C42 | H67 | 180.0° | 64.6° |
| C40 | C41 | C42 | H68 | 60.0° | 175.4° |
| C40 | C41 | C42 | H69 | 60.0° | 55.3° |
| C41 | C40 | C43 | O12 | 70.7° | 14.9° |
| C41 | C40 | N9 | C38 | 140.4° | 114.8° |
| C41 | C40 | C43 | N10 | 109.0° | 165.1° |
| C40 | C41 | O11 | C54 | 164.5° | 115.3° |
| C43 | C40 | C41 | C42 | 172.1° | 124.7° |
| C43 | C40 | C41 | O11 | 49.2° | 4.8° |
| C43 | C40 | C41 | H66 | 69.3° | 115.2° |
| C40 | C43 | O12 | N10 | 179.6° | 180.0° |
| C40 | C43 | N10 | C44 | 178.1° | 180.0° |
| C40 | C43 | N10 | H70 | 2.0° | 0.0° |
| C43 | C40 | N9 | C38 | 98.2° | 125.2° |
| H65 | C40 | C41 | C42 | 72.4° | 115.3° |
| H65 | C40 | C41 | O11 | 164.7° | 124.7° |
| H65 | C40 | C41 | H66 | 46.2° | 4.7° |
| H65 | C40 | C43 | O12 | 44.5° | 105.0° |
| H65 | C40 | N9 | C38 | 20.8° | 5.2° |
| H65 | C40 | C43 | N10 | 135.9° | 75.0° |
| C42 | C41 | O11 | H66 | 117.8° | 120.1° |
| C41 | C42 | H67 | H68 | 120.0° | 120.0° |
| C41 | C42 | H67 | H69 | 120.0° | 120.0° |
| C41 | C42 | H68 | H69 | 120.0° | 120.1° |
| C42 | C41 | O11 | C54 | 70.8° | 124.8° |
| O11 | C41 | C42 | H67 | 56.9° | 175.6° |
| O11 | C41 | C42 | H68 | 63.1° | 55.6° |
| O11 | C41 | C42 | H69 | 176.9° | 64.5° |
| C41 | O11 | C54 | C53 | 179.2° | 178.5° |
| C41 | O11 | C54 | O15 | 0.1° | 1.6° |
| H66 | C41 | C42 | H67 | 61.7° | 55.4° |
| H66 | C41 | C42 | H68 | 178.3° | 64.5° |
| H66 | C41 | C42 | H69 | 58.3° | 175.4° |
| H66 | C41 | O11 | C54 | 47.0° | 4.7° |
| H67 | C42 | H68 | H69 | 119.9° | 119.9° |
| O12 | C43 | N10 | C44 | 1.5° | 0.0° |
| O12 | C43 | N10 | H70 | 178.4° | 180.0° |
| C44 | N10 | H70 | C43 | 180.0° | 180.0° |
| N10 | C44 | C45 | C46 | 121.6° | 119.7° |
| N10 | C44 | C45 | H71 | 119.8° | 119.7° |
| N10 | C44 | C46 | H71 | 118.7° | 120.5° |
| N10 | C44 | C45 | O13 | 106.3° | 44.3° |
| N10 | C44 | C46 | H72 | 180.0° | 60.0° |
| N10 | C44 | C46 | H73 | 60.0° | 180.0° |
| N10 | C44 | C46 | H74 | 60.0° | 60.0° |
| N10 | C44 | C45 | N11 | 73.4° | 135.7° |
| H70 | N10 | C44 | C45 | 103.5° | 175.4° |
| H70 | N10 | C44 | C46 | 19.1° | 64.8° |
| H70 | N10 | C44 | H71 | 137.3° | 55.7° |
| C45 | C44 | C46 | H71 | 118.5° | 120.4° |
| C44 | C45 | O13 | N11 | 179.7° | 180.0° |
| C45 | C44 | C46 | H72 | 57.2° | 59.0° |
| C45 | C44 | C46 | H73 | 177.2° | 61.0° |
| C45 | C44 | C46 | H74 | 62.8° | 179.0° |
| C44 | C45 | N11 | C47 | 179.9° | 178.8° |
| C44 | C45 | N11 | H75 | 0.1° | 1.2° |
| C45 | C44 | N10 | C43 | 76.5° | 4.6° |
| C46 | C44 | C45 | O13 | 132.1° | 164.0° |
| C44 | C46 | H72 | H73 | 120.0° | 120.0° |
| C44 | C46 | H72 | H74 | 120.0° | 120.0° |
| C44 | C46 | H73 | H74 | 120.0° | 120.0° |
| C46 | C44 | N10 | C43 | 160.9° | 115.2° |
| C46 | C44 | C45 | N11 | 48.1° | 15.9° |
| H71 | C44 | C45 | O13 | 13.5° | 75.4° |
| H71 | C44 | C46 | H72 | 61.3° | 179.5° |
| H71 | C44 | C46 | H73 | 58.7° | 59.5° |
| H71 | C44 | C46 | H74 | 178.7° | 60.6° |
| H71 | C44 | N10 | C43 | 42.7° | 124.3° |
| H71 | C44 | C45 | N11 | 166.7° | 104.6° |
| O13 | C45 | N11 | C47 | 0.2° | 1.2° |
| O13 | C45 | N11 | H75 | 179.9° | 178.8° |
| H72 | C46 | H73 | H74 | 120.0° | 120.0° |
| N11 | C47 | C48 | C52 | 122.3° | 118.6° |
| N11 | C47 | C48 | H76 | 119.6° | 120.7° |
| N11 | C47 | C52 | H76 | 119.7° | 119.7° |
| N11 | C47 | C48 | C49 | 179.1° | 65.0° |
| N11 | C47 | C52 | O14 | 152.7° | 79.2° |
| C47 | N11 | H75 | C45 | 180.0° | 180.0° |
| N11 | C47 | C48 | H77 | 58.4° | 55.0° |
| N11 | C47 | C48 | H78 | 60.2° | 175.0° |
| N11 | C47 | C52 | N15 | 29.9° | 100.8° |
| C48 | C47 | C52 | H76 | 118.0° | 120.7° |
| C47 | C48 | C49 | H77 | 120.7° | 120.1° |
| C47 | C48 | C49 | H78 | 120.7° | 120.0° |
| C47 | C48 | C49 | C50 | 54.1° | 176.7° |
| C48 | C47 | C52 | O14 | 84.9° | 40.4° |
| C47 | C48 | C49 | N13 | 165.6° | 68.0° |
| C48 | C47 | N11 | H75 | 26.3° | 0.3° |
| C47 | C48 | H77 | H78 | 117.8° | 120.0° |
| C47 | C48 | C49 | H79 | 68.4° | 54.3° |
| C48 | C47 | N11 | C45 | 153.7° | 179.7° |
| C48 | C47 | C52 | N15 | 92.4° | 139.5° |
| C52 | C47 | C48 | C49 | 58.5° | 176.4° |
| C47 | C52 | O14 | N15 | 177.1° | 180.0° |
| C52 | C47 | N11 | H75 | 95.3° | 120.0° |
| C52 | C47 | C48 | H77 | 179.2° | 63.6° |
| C52 | C47 | C48 | H78 | 62.2° | 56.4° |
| C47 | C52 | N15 | C53 | 178.4° | 178.6° |
| C47 | C52 | N15 | H85 | 1.6° | 1.4° |
| C52 | C47 | N11 | C45 | 84.8° | 60.1° |
| C48 | C49 | C50 | N12 | 114.5° | 118.8° |
| C48 | C49 | N13 | C51 | 113.3° | 118.7° |
| C48 | C49 | C50 | N13 | 117.2° | 118.9° |
| C48 | C49 | C50 | H79 | 123.2° | 122.3° |
| C48 | C49 | N13 | H79 | 125.9° | 122.3° |
| C49 | C48 | C47 | H76 | 59.5° | 55.6° |
| C49 | C48 | H77 | H78 | 117.8° | 119.9° |
| C48 | C49 | C50 | H80 | 4.5° | 122.4° |
| C48 | C49 | N13 | H82 | 66.6° | 61.0° |
| C48 | C49 | C50 | H84 | 126.5° | 0.1° |
| N14 | C51 | N12 | N13 | 179.3° | 179.8° |
| N14 | C51 | N12 | C50 | 179.1° | 180.0° |
| N14 | C51 | N13 | C49 | 178.8° | 180.0° |
| N14 | C51 | N12 | H81 | 0.8° | 0.1° |
| N14 | C51 | N13 | H82 | 1.2° | 0.2° |
| C51 | N12 | C50 | H81 | 180.0° | 179.9° |
| C51 | N12 | C50 | C49 | 2.8° | 0.0° |
| N12 | C51 | N13 | C49 | 0.5° | 0.2° |
| C51 | N12 | C50 | H80 | 121.7° | 118.8° |
| N12 | C51 | N13 | H82 | 179.5° | 180.0° |
| N12 | C51 | N14 | H83 | 179.2° | 179.9° |
| C51 | N12 | C50 | H84 | 116.2° | 118.8° |
| C50 | N12 | C51 | N13 | 1.5° | 0.1° |
| N12 | C50 | C49 | H80 | 119.0° | 118.8° |
| N12 | C50 | C49 | H84 | 119.0° | 118.9° |
| N12 | C50 | C49 | N13 | 2.8° | 0.1° |
| N12 | C50 | C49 | H79 | 122.3° | 118.9° |
| N12 | C50 | H80 | H84 | 123.0° | 122.6° |
| C51 | N13 | C49 | C50 | 2.1° | 0.2° |
| C51 | N13 | C49 | H82 | 180.0° | 179.8° |
| C51 | N13 | C49 | H79 | 120.8° | 119.0° |
| N13 | C51 | N12 | H81 | 178.5° | 179.9° |
| N13 | C51 | N14 | H83 | 0.0° | 0.1° |
| C50 | C49 | N13 | H79 | 118.6° | 118.8° |
| C50 | C49 | C48 | H77 | 66.6° | 56.6° |
| C50 | C49 | C48 | H78 | 174.8° | 63.3° |
| C49 | C50 | H80 | H84 | 123.0° | 122.3° |
| C49 | C50 | N12 | H81 | 177.3° | 180.0° |
| C50 | C49 | N13 | H82 | 177.9° | 179.9° |
| O14 | C52 | C47 | H76 | 33.1° | 161.1° |
| O14 | C52 | N15 | C53 | 4.3° | 1.5° |
| O14 | C52 | N15 | H85 | 175.7° | 178.6° |
| N13 | C49 | C48 | H77 | 44.9° | 171.9° |
| N13 | C49 | C48 | H78 | 73.7° | 52.0° |
| N13 | C49 | C50 | H80 | 121.7° | 118.7° |
| N13 | C49 | C50 | H84 | 116.2° | 119.0° |
| H75 | N11 | C47 | H76 | 145.5° | 120.4° |
| H76 | C47 | C48 | H77 | 61.2° | 175.7° |
| H76 | C47 | C48 | H78 | 179.8° | 64.3° |
| H76 | C47 | N11 | C45 | 34.5° | 59.6° |
| H76 | C47 | C52 | N15 | 149.6° | 18.8° |
| H77 | C48 | C49 | H79 | 170.9° | 65.8° |
| H78 | C48 | C49 | H79 | 52.3° | 174.3° |
| H79 | C49 | C50 | H80 | 118.7° | 0.1° |
| H79 | C49 | N13 | H82 | 59.2° | 61.2° |
| H79 | C49 | C50 | H84 | 3.3° | 122.2° |
| H80 | C50 | N12 | H81 | 58.3° | 61.3° |
| H81 | N12 | C50 | H84 | 63.8° | 61.2° |
| C53 | N15 | H85 | C52 | 180.0° | 179.9° |
| N15 | C53 | C54 | C55 | 122.4° | 119.7° |
| N15 | C53 | C54 | H86 | 119.2° | 119.7° |
| N15 | C53 | C55 | H86 | 120.2° | 120.5° |
| N15 | C53 | C54 | O15 | 151.2° | 106.0° |
| N15 | C53 | C55 | C56 | 47.5° | 60.9° |
| N15 | C53 | C55 | C57 | 169.9° | 179.0° |
| N15 | C53 | C55 | H87 | 71.0° | 59.1° |
| N15 | C53 | C54 | O11 | 27.9° | 74.1° |
| H85 | N15 | C53 | C54 | 55.1° | 73.0° |
| H85 | N15 | C53 | C55 | 66.9° | 167.3° |
| H85 | N15 | C53 | H86 | 173.6° | 46.6° |
| C54 | C53 | C55 | H86 | 118.4° | 120.5° |
| C53 | C54 | O15 | O11 | 179.1° | 180.0° |
| C54 | C53 | C55 | C56 | 168.8° | 179.9° |
| C54 | C53 | C55 | C57 | 68.8° | 60.0° |
| C54 | C53 | C55 | H87 | 50.3° | 59.9° |
| C54 | C53 | N15 | C52 | 125.0° | 106.9° |
| C55 | C53 | C54 | O15 | 86.4° | 134.3° |
| C53 | C55 | C56 | C57 | 122.8° | 120.0° |
| C53 | C55 | C56 | H87 | 118.4° | 120.0° |
| C53 | C55 | C57 | H87 | 119.0° | 120.0° |
| C53 | C55 | C56 | C58 | 156.6° | 172.4° |
| C53 | C55 | C56 | H88 | 82.9° | 67.6° |
| C53 | C55 | C56 | H89 | 36.0° | 52.3° |
| C53 | C55 | C57 | H90 | 180.0° | 55.3° |
| C53 | C55 | C57 | H91 | 60.0° | 175.3° |
| C53 | C55 | C57 | H92 | 60.0° | 64.6° |
| C55 | C53 | C54 | O11 | 94.5° | 45.6° |
| C55 | C53 | N15 | C52 | 113.1° | 12.8° |
| H86 | C53 | C54 | O15 | 32.0° | 13.7° |
| H86 | C53 | C55 | C56 | 72.7° | 59.6° |
| H86 | C53 | C55 | C57 | 49.6° | 60.5° |
| H86 | C53 | C55 | H87 | 168.8° | 179.6° |
| H86 | C53 | C54 | O11 | 147.1° | 166.3° |
| H86 | C53 | N15 | C52 | 6.4° | 133.4° |
| C56 | C55 | C57 | H87 | 118.9° | 120.0° |
| C55 | C56 | C58 | H88 | 120.6° | 120.0° |
| C55 | C56 | C58 | H89 | 120.6° | 120.0° |
| C55 | C56 | H88 | H89 | 118.2° | 120.0° |
| C56 | C55 | C57 | H90 | 57.9° | 64.7° |
| C56 | C55 | C57 | H91 | 177.9° | 55.2° |
| C56 | C55 | C57 | H92 | 62.1° | 175.3° |
| C55 | C56 | C58 | H93 | 180.0° | 180.0° |
| C55 | C56 | C58 | H94 | 60.0° | 60.0° |
| C55 | C56 | C58 | H95 | 60.0° | 60.0° |
| C57 | C55 | C56 | C58 | 80.7° | 67.6° |
| C57 | C55 | C56 | H88 | 39.9° | 52.4° |
| C57 | C55 | C56 | H89 | 158.8° | 172.3° |
| C55 | C57 | H90 | H91 | 120.0° | 119.9° |
| C55 | C57 | H90 | H92 | 120.0° | 119.9° |
| C55 | C57 | H91 | H92 | 120.0° | 120.0° |
| H87 | C55 | C56 | C58 | 38.2° | 52.4° |
| H87 | C55 | C56 | H88 | 158.8° | 172.4° |
| H87 | C55 | C56 | H89 | 82.4° | 67.7° |
| H87 | C55 | C57 | H90 | 61.0° | 175.3° |
| H87 | C55 | C57 | H91 | 59.0° | 64.8° |
| H87 | C55 | C57 | H92 | 179.0° | 55.3° |
| C58 | C56 | H88 | H89 | 118.2° | 120.0° |
| C56 | C58 | H93 | H94 | 120.0° | 120.0° |
| C56 | C58 | H93 | H95 | 120.0° | 120.0° |
| C56 | C58 | H94 | H95 | 120.0° | 120.0° |
| H88 | C56 | C58 | H93 | 59.4° | 60.0° |
| H88 | C56 | C58 | H94 | 179.4° | 180.0° |
| H88 | C56 | C58 | H95 | 60.6° | 60.0° |
| H89 | C56 | C58 | H93 | 59.4° | 60.0° |
| H89 | C56 | C58 | H94 | 60.5° | 60.0° |
| H89 | C56 | C58 | H95 | 179.5° | 180.0° |
| H90 | C57 | H91 | H92 | 120.0° | 120.1° |
| H93 | C58 | H94 | H95 | 120.0° | 120.0° |
