PRD_002509
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.18Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | C9 | sing | 1.46Å | 1.45Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | N2 | sing | 1.47Å | 1.45Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 1.01Å | 1.00Å | |
| N2 | H23 | sing | 1.01Å | 1.00Å | |
| N3 | C13 | sing | 1.47Å | 1.45Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.18Å | |
| C15 | O4 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| O4 | H27 | sing | 0.97Å | 0.95Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.45Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.18Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | N5 | sing | 1.47Å | 1.45Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| N5 | H37 | sing | 1.01Å | 1.00Å | |
| N5 | H38 | sing | 1.01Å | 1.00Å | |
| N6 | C21 | sing | 1.47Å | 1.46Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | O6 | doub | 1.23Å | 1.18Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | N7 | sing | 1.48Å | 1.45Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| N8 | C25 | sing | 1.47Å | 1.45Å | |
| N8 | H46 | sing | 0.99Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | sing | 1.52Å | 1.53Å | |
| C25 | H47 | sing | 1.11Å | 1.10Å | |
| C26 | O7 | doub | 1.21Å | 1.18Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | N9 | sing | 1.47Å | 1.45Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| N9 | H52 | sing | 1.01Å | 1.00Å | |
| N9 | H53 | sing | 1.01Å | 1.00Å | |
| N10 | C29 | sing | 1.47Å | 1.45Å | |
| N10 | H54 | sing | 0.98Å | 1.00Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C34 | sing | 1.51Å | 1.52Å | |
| C29 | H55 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | O8 | doub | 1.21Å | 1.18Å | |
| N11 | C35 | sing | 1.47Å | 1.45Å | |
| N11 | H65 | sing | 0.98Å | 1.00Å | |
| C35 | C36 | sing | 1.50Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H66 | sing | 1.10Å | 1.10Å | |
| C36 | O9 | doub | 1.21Å | 1.18Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.09Å | 1.10Å | |
| C40 | H73 | sing | 1.09Å | 1.10Å | |
| C40 | H74 | sing | 1.09Å | 1.10Å | |
| C40 | H75 | sing | 1.09Å | 1.10Å | |
| N12 | C41 | sing | 1.48Å | 1.45Å | |
| N12 | H76 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| C42 | O10 | doub | 1.21Å | 1.18Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H78 | sing | 1.09Å | 1.10Å | |
| C43 | H79 | sing | 1.09Å | 1.10Å | |
| C44 | N13 | sing | 1.47Å | 1.45Å | |
| C44 | H80 | sing | 1.09Å | 1.10Å | |
| C44 | H81 | sing | 1.09Å | 1.10Å | |
| N13 | H82 | sing | 1.01Å | 1.00Å | |
| N13 | H83 | sing | 1.01Å | 1.00Å | |
| N14 | C45 | sing | 1.48Å | 1.45Å | |
| N14 | H84 | sing | 0.98Å | 1.00Å | |
| C45 | C46 | sing | 1.50Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | H85 | sing | 1.10Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.18Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H86 | sing | 1.09Å | 1.10Å | |
| C47 | H87 | sing | 1.09Å | 1.10Å | |
| C48 | N15 | sing | 1.47Å | 1.45Å | |
| C48 | H88 | sing | 1.09Å | 1.10Å | |
| C48 | H89 | sing | 1.09Å | 1.10Å | |
| N15 | H90 | sing | 1.01Å | 1.00Å | |
| N15 | H91 | sing | 1.01Å | 1.00Å | |
| N16 | C49 | sing | 1.47Å | 1.46Å | |
| N16 | H92 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C49 | H93 | sing | 1.09Å | 1.10Å | |
| C50 | O12 | doub | 1.21Å | 1.18Å | |
| C51 | O13 | sing | 1.43Å | 1.40Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H94 | sing | 1.09Å | 1.10Å | |
| O13 | H95 | sing | 0.97Å | 0.95Å | |
| C52 | H96 | sing | 1.09Å | 1.10Å | |
| C52 | H97 | sing | 1.09Å | 1.10Å | |
| C52 | H98 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.45Å | |
| C10 | N3 | sing | 1.35Å | 1.45Å | |
| C14 | N4 | sing | 1.35Å | 1.45Å | |
| C18 | N6 | sing | 1.35Å | 1.46Å | |
| C22 | N8 | sing | 1.35Å | 1.45Å | |
| N7 | C50 | sing | 1.36Å | 1.45Å | |
| C26 | N10 | sing | 1.36Å | 1.45Å | |
| C34 | N11 | sing | 1.37Å | 1.45Å | |
| C36 | N12 | sing | 1.36Å | 1.46Å | |
| C42 | N14 | sing | 1.36Å | 1.46Å | |
| C46 | N16 | sing | 1.36Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.7° | 120.1° |
| O1 | C1 | N1 | 120.7° | 120.0° |
| C1 | C2 | C3 | 112.5° | 109.5° |
| C1 | C2 | H1 | 108.7° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C2 | C1 | N1 | 119.6° | 120.0° |
| C2 | C3 | C4 | 111.8° | 109.5° |
| C3 | C2 | H1 | 108.7° | 109.4° |
| C3 | C2 | H2 | 108.7° | 109.4° |
| C2 | C3 | H3 | 108.9° | 109.4° |
| C2 | C3 | H4 | 108.8° | 109.4° |
| C3 | C4 | C5 | 114.0° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C3 | C4 | H5 | 108.3° | 109.5° |
| C3 | C4 | H6 | 108.3° | 109.5° |
| C4 | C5 | C7 | 112.8° | 109.5° |
| C4 | C5 | C6 | 109.7° | 109.5° |
| C5 | C4 | H5 | 108.3° | 109.5° |
| C5 | C4 | H6 | 108.3° | 109.5° |
| C4 | C5 | H7 | 108.0° | 109.5° |
| C5 | C7 | C8 | 112.4° | 109.5° |
| C7 | C5 | C6 | 110.2° | 109.5° |
| C7 | C5 | H7 | 108.0° | 109.5° |
| C5 | C7 | H11 | 108.7° | 109.5° |
| C5 | C7 | H12 | 108.8° | 109.5° |
| C8 | C7 | H11 | 108.7° | 109.5° |
| C8 | C7 | H12 | 108.7° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C6 | C5 | H7 | 108.0° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H10 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| C9 | N1 | H16 | 119.7° | 120.0° |
| N1 | C9 | C10 | 109.0° | 109.5° |
| N1 | C9 | C11 | 109.5° | 109.5° |
| N1 | C9 | H17 | 110.0° | 109.5° |
| C9 | N1 | C1 | 120.5° | 120.0° |
| H16 | N1 | C1 | 119.8° | 120.0° |
| C10 | C9 | C11 | 110.6° | 109.4° |
| C10 | C9 | H17 | 108.9° | 109.5° |
| C9 | C10 | O2 | 119.2° | 120.0° |
| C9 | C10 | N3 | 121.0° | 120.0° |
| C11 | C9 | H17 | 108.9° | 109.5° |
| C9 | C11 | C12 | 112.4° | 109.4° |
| C9 | C11 | H18 | 108.7° | 109.5° |
| C9 | C11 | H19 | 108.7° | 109.5° |
| O2 | C10 | N3 | 119.9° | 120.0° |
| C12 | C11 | H18 | 108.7° | 109.5° |
| C12 | C11 | H19 | 108.8° | 109.5° |
| C11 | C12 | N2 | 110.4° | 109.5° |
| C11 | C12 | H20 | 109.3° | 109.5° |
| C11 | C12 | H21 | 109.3° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| N2 | C12 | H20 | 109.2° | 109.4° |
| N2 | C12 | H21 | 109.2° | 109.5° |
| C12 | N2 | H22 | 109.5° | 111.0° |
| C12 | N2 | H23 | 109.4° | 110.9° |
| H20 | C12 | H21 | 109.4° | 109.4° |
| H22 | N2 | H23 | 109.4° | 111.0° |
| C13 | N3 | H24 | 120.1° | 120.0° |
| N3 | C13 | C14 | 108.5° | 109.5° |
| N3 | C13 | C15 | 109.1° | 109.4° |
| N3 | C13 | H25 | 110.4° | 109.5° |
| C13 | N3 | C10 | 119.7° | 120.0° |
| H24 | N3 | C10 | 120.1° | 120.1° |
| C14 | C13 | C15 | 109.9° | 109.5° |
| C14 | C13 | H25 | 109.4° | 109.5° |
| C13 | C14 | O3 | 119.8° | 120.0° |
| C13 | C14 | N4 | 119.5° | 120.0° |
| C15 | C13 | H25 | 109.4° | 109.4° |
| C13 | C15 | O4 | 109.1° | 109.5° |
| C13 | C15 | C16 | 110.2° | 109.4° |
| C13 | C15 | H26 | 108.8° | 109.4° |
| O3 | C14 | N4 | 120.8° | 120.0° |
| O4 | C15 | C16 | 109.2° | 109.5° |
| O4 | C15 | H26 | 110.6° | 109.5° |
| C15 | O4 | H27 | 109.5° | 114.1° |
| C16 | C15 | H26 | 108.9° | 109.4° |
| C15 | C16 | H28 | 109.5° | 109.4° |
| C15 | C16 | H29 | 109.5° | 109.4° |
| C15 | C16 | H30 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.4° | 109.4° |
| H28 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| C17 | N4 | H31 | 119.5° | 120.0° |
| N4 | C17 | C18 | 109.6° | 109.5° |
| N4 | C17 | C19 | 110.1° | 109.5° |
| N4 | C17 | H32 | 109.7° | 109.4° |
| C17 | N4 | C14 | 120.9° | 120.0° |
| H31 | N4 | C14 | 119.5° | 120.0° |
| C18 | C17 | C19 | 109.9° | 109.5° |
| C18 | C17 | H32 | 108.7° | 109.5° |
| C17 | C18 | O5 | 119.4° | 120.0° |
| C17 | C18 | N6 | 117.9° | 120.0° |
| C19 | C17 | H32 | 108.8° | 109.5° |
| C17 | C19 | C20 | 112.4° | 109.5° |
| C17 | C19 | H33 | 108.7° | 109.4° |
| C17 | C19 | H34 | 108.7° | 109.5° |
| O5 | C18 | N6 | 122.8° | 120.0° |
| C20 | C19 | H33 | 108.8° | 109.5° |
| C20 | C19 | H34 | 108.8° | 109.5° |
| C19 | C20 | N5 | 110.2° | 109.5° |
| C19 | C20 | H35 | 109.3° | 109.4° |
| C19 | C20 | H36 | 109.3° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.4° |
| N5 | C20 | H35 | 109.3° | 109.5° |
| N5 | C20 | H36 | 109.3° | 109.5° |
| C20 | N5 | H37 | 109.5° | 111.0° |
| C20 | N5 | H38 | 109.4° | 111.0° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| H37 | N5 | H38 | 109.5° | 111.0° |
| C21 | N6 | H39 | 117.6° | 120.0° |
| N6 | C21 | C22 | 113.8° | 109.5° |
| N6 | C21 | C23 | 110.9° | 109.4° |
| N6 | C21 | H40 | 108.4° | 109.1° |
| C21 | N6 | C18 | 124.7° | 120.0° |
| H39 | N6 | C18 | 117.7° | 120.0° |
| C22 | C21 | C23 | 108.5° | 109.7° |
| C22 | C21 | H40 | 107.5° | 111.0° |
| C21 | C22 | O6 | 121.0° | 118.1° |
| C21 | C22 | N8 | 118.4° | 124.5° |
| C23 | C21 | H40 | 107.5° | 108.1° |
| C21 | C23 | C24 | 110.7° | 110.5° |
| C21 | C23 | H41 | 109.2° | 109.2° |
| C21 | C23 | H42 | 109.1° | 109.2° |
| O6 | C22 | N8 | 120.6° | 117.4° |
| C24 | C23 | H41 | 109.2° | 109.4° |
| C24 | C23 | H42 | 109.2° | 109.5° |
| C23 | C24 | N7 | 111.2° | 108.5° |
| C23 | C24 | H43 | 109.0° | 110.5° |
| C23 | C24 | H44 | 109.0° | 110.2° |
| H41 | C23 | H42 | 109.5° | 109.1° |
| N7 | C24 | H43 | 109.0° | 108.8° |
| N7 | C24 | H44 | 109.1° | 109.1° |
| C24 | N7 | H45 | 119.2° | 122.2° |
| C24 | N7 | C50 | 121.5° | 115.1° |
| H43 | C24 | H44 | 109.5° | 109.6° |
| H45 | N7 | C50 | 119.3° | 122.7° |
| C25 | N8 | H46 | 119.6° | 118.9° |
| N8 | C25 | C26 | 107.8° | 110.4° |
| N8 | C25 | C27 | 111.1° | 112.6° |
| N8 | C25 | H47 | 109.9° | 107.8° |
| C25 | N8 | C22 | 120.9° | 122.8° |
| H46 | N8 | C22 | 119.6° | 118.3° |
| C26 | C25 | C27 | 110.3° | 111.7° |
| C26 | C25 | H47 | 108.9° | 106.9° |
| C25 | C26 | O7 | 120.0° | 120.1° |
| C25 | C26 | N10 | 120.2° | 118.1° |
| C27 | C25 | H47 | 108.8° | 107.2° |
| C25 | C27 | C28 | 113.5° | 109.5° |
| C25 | C27 | H48 | 108.5° | 109.5° |
| C25 | C27 | H49 | 108.5° | 109.5° |
| O7 | C26 | N10 | 119.8° | 121.8° |
| C28 | C27 | H48 | 108.4° | 109.4° |
| C28 | C27 | H49 | 108.5° | 109.4° |
| C27 | C28 | N9 | 109.7° | 109.5° |
| C27 | C28 | H50 | 109.4° | 109.5° |
| C27 | C28 | H51 | 109.4° | 109.5° |
| H48 | C27 | H49 | 109.5° | 109.4° |
| N9 | C28 | H50 | 109.4° | 109.5° |
| N9 | C28 | H51 | 109.4° | 109.4° |
| C28 | N9 | H52 | 109.5° | 111.0° |
| C28 | N9 | H53 | 109.4° | 110.9° |
| H50 | C28 | H51 | 109.4° | 109.5° |
| H52 | N9 | H53 | 109.5° | 111.0° |
| C29 | N10 | H54 | 120.3° | 120.0° |
| N10 | C29 | C30 | 110.2° | 111.3° |
| N10 | C29 | C34 | 108.5° | 110.6° |
| N10 | C29 | H55 | 110.2° | 108.7° |
| C29 | N10 | C26 | 119.3° | 120.3° |
| H54 | N10 | C26 | 120.4° | 119.7° |
| C30 | C29 | C34 | 109.8° | 110.1° |
| C30 | C29 | H55 | 109.1° | 108.2° |
| C29 | C30 | C31 | 113.1° | 109.4° |
| C29 | C30 | H56 | 108.6° | 109.5° |
| C29 | C30 | H57 | 108.5° | 109.5° |
| C34 | C29 | H55 | 109.2° | 107.9° |
| C29 | C34 | O8 | 119.7° | 120.5° |
| C29 | C34 | N11 | 120.1° | 117.3° |
| C31 | C30 | H56 | 108.6° | 109.5° |
| C31 | C30 | H57 | 108.6° | 109.5° |
| C30 | C31 | C32 | 110.9° | 109.4° |
| C30 | C31 | C33 | 111.4° | 109.5° |
| C30 | C31 | H58 | 107.9° | 109.4° |
| H56 | C30 | H57 | 109.4° | 109.5° |
| C32 | C31 | C33 | 110.6° | 109.5° |
| C32 | C31 | H58 | 107.9° | 109.5° |
| C31 | C32 | H59 | 109.5° | 109.5° |
| C31 | C32 | H60 | 109.5° | 109.4° |
| C31 | C32 | H61 | 109.5° | 109.5° |
| C33 | C31 | H58 | 107.9° | 109.5° |
| C31 | C33 | H62 | 109.5° | 109.5° |
| C31 | C33 | H63 | 109.5° | 109.5° |
| C31 | C33 | H64 | 109.5° | 109.5° |
| H59 | C32 | H60 | 109.4° | 109.5° |
| H59 | C32 | H61 | 109.5° | 109.5° |
| H60 | C32 | H61 | 109.5° | 109.5° |
| H62 | C33 | H63 | 109.5° | 109.5° |
| H62 | C33 | H64 | 109.5° | 109.4° |
| H63 | C33 | H64 | 109.5° | 109.5° |
| O8 | C34 | N11 | 120.2° | 122.2° |
| C35 | N11 | H65 | 119.9° | 120.9° |
| N11 | C35 | C36 | 109.0° | 110.0° |
| N11 | C35 | C37 | 108.4° | 111.0° |
| N11 | C35 | H66 | 110.1° | 108.5° |
| C35 | N11 | C34 | 120.1° | 118.7° |
| H65 | N11 | C34 | 120.0° | 120.4° |
| C36 | C35 | C37 | 111.3° | 110.7° |
| C36 | C35 | H66 | 109.1° | 108.1° |
| C35 | C36 | O9 | 120.0° | 120.9° |
| C35 | C36 | N12 | 120.9° | 118.6° |
| C37 | C35 | H66 | 109.0° | 108.4° |
| C35 | C37 | C38 | 112.9° | 109.5° |
| C35 | C37 | H67 | 108.6° | 109.5° |
| C35 | C37 | H68 | 108.6° | 109.5° |
| O9 | C36 | N12 | 119.0° | 120.5° |
| C38 | C37 | H67 | 108.6° | 109.4° |
| C38 | C37 | H68 | 108.6° | 109.5° |
| C37 | C38 | C39 | 110.8° | 109.4° |
| C37 | C38 | C40 | 110.8° | 109.5° |
| C37 | C38 | H69 | 108.0° | 109.5° |
| H67 | C37 | H68 | 109.5° | 109.4° |
| C39 | C38 | C40 | 111.1° | 109.4° |
| C39 | C38 | H69 | 108.0° | 109.5° |
| C38 | C39 | H70 | 109.5° | 109.4° |
| C38 | C39 | H71 | 109.5° | 109.5° |
| C38 | C39 | H72 | 109.5° | 109.5° |
| C40 | C38 | H69 | 108.0° | 109.5° |
| C38 | C40 | H73 | 109.5° | 109.5° |
| C38 | C40 | H74 | 109.5° | 109.5° |
| C38 | C40 | H75 | 109.5° | 109.5° |
| H70 | C39 | H71 | 109.5° | 109.4° |
| H70 | C39 | H72 | 109.4° | 109.5° |
| H71 | C39 | H72 | 109.5° | 109.5° |
| H73 | C40 | H74 | 109.5° | 109.5° |
| H73 | C40 | H75 | 109.4° | 109.4° |
| H74 | C40 | H75 | 109.5° | 109.5° |
| C41 | N12 | H76 | 119.4° | 120.9° |
| N12 | C41 | C42 | 110.0° | 108.8° |
| N12 | C41 | C43 | 108.9° | 108.8° |
| N12 | C41 | H77 | 110.5° | 110.0° |
| C41 | N12 | C36 | 121.2° | 117.5° |
| H76 | N12 | C36 | 119.4° | 121.7° |
| C42 | C41 | C43 | 108.5° | 110.1° |
| C42 | C41 | H77 | 109.4° | 109.7° |
| C41 | C42 | O10 | 119.2° | 118.6° |
| C41 | C42 | N14 | 121.5° | 119.2° |
| C43 | C41 | H77 | 109.5° | 109.5° |
| C41 | C43 | C44 | 112.5° | 109.5° |
| C41 | C43 | H78 | 108.7° | 109.5° |
| C41 | C43 | H79 | 108.7° | 109.5° |
| O10 | C42 | N14 | 119.3° | 122.2° |
| C44 | C43 | H78 | 108.7° | 109.5° |
| C44 | C43 | H79 | 108.7° | 109.4° |
| C43 | C44 | N13 | 110.6° | 109.5° |
| C43 | C44 | H80 | 109.2° | 109.5° |
| C43 | C44 | H81 | 109.2° | 109.5° |
| H78 | C43 | H79 | 109.4° | 109.5° |
| N13 | C44 | H80 | 109.2° | 109.5° |
| N13 | C44 | H81 | 109.2° | 109.4° |
| C44 | N13 | H82 | 109.5° | 111.0° |
| C44 | N13 | H83 | 109.5° | 111.0° |
| H80 | C44 | H81 | 109.5° | 109.4° |
| H82 | N13 | H83 | 109.5° | 111.1° |
| C45 | N14 | H84 | 121.1° | 119.6° |
| N14 | C45 | C46 | 113.3° | 109.9° |
| N14 | C45 | C47 | 110.9° | 111.4° |
| N14 | C45 | H85 | 109.1° | 108.3° |
| C45 | N14 | C42 | 117.8° | 118.6° |
| H84 | N14 | C42 | 121.1° | 121.8° |
| C46 | C45 | C47 | 107.1° | 110.7° |
| C46 | C45 | H85 | 108.1° | 108.2° |
| C45 | C46 | O11 | 117.7° | 120.8° |
| C45 | C46 | N16 | 123.8° | 118.9° |
| C47 | C45 | H85 | 108.2° | 108.2° |
| C45 | C47 | C48 | 110.5° | 109.5° |
| C45 | C47 | H86 | 109.2° | 109.4° |
| C45 | C47 | H87 | 109.2° | 109.5° |
| O11 | C46 | N16 | 118.5° | 120.3° |
| C48 | C47 | H86 | 109.2° | 109.5° |
| C48 | C47 | H87 | 109.2° | 109.5° |
| C47 | C48 | N15 | 110.5° | 109.5° |
| C47 | C48 | H88 | 109.2° | 109.5° |
| C47 | C48 | H89 | 109.2° | 109.5° |
| H86 | C47 | H87 | 109.5° | 109.5° |
| N15 | C48 | H88 | 109.2° | 109.5° |
| N15 | C48 | H89 | 109.2° | 109.5° |
| C48 | N15 | H90 | 109.5° | 111.0° |
| C48 | N15 | H91 | 109.5° | 111.0° |
| H88 | C48 | H89 | 109.4° | 109.5° |
| H90 | N15 | H91 | 109.5° | 111.0° |
| C49 | N16 | H92 | 121.3° | 121.4° |
| N16 | C49 | C50 | 113.0° | 109.1° |
| N16 | C49 | C51 | 108.9° | 109.5° |
| N16 | C49 | H93 | 109.6° | 109.7° |
| C49 | N16 | C46 | 117.4° | 117.2° |
| H92 | N16 | C46 | 121.3° | 121.4° |
| C50 | C49 | C51 | 107.9° | 109.6° |
| C50 | C49 | H93 | 108.7° | 109.5° |
| C49 | C50 | O12 | 120.7° | 120.4° |
| C49 | C50 | N7 | 118.4° | 118.6° |
| C51 | C49 | H93 | 108.7° | 109.3° |
| C49 | C51 | O13 | 108.8° | 109.5° |
| C49 | C51 | C52 | 109.9° | 109.5° |
| C49 | C51 | H94 | 109.0° | 109.4° |
| O12 | C50 | N7 | 120.9° | 120.9° |
| O13 | C51 | C52 | 109.5° | 109.5° |
| O13 | C51 | H94 | 110.8° | 109.4° |
| C51 | O13 | H95 | 109.5° | 114.1° |
| C52 | C51 | H94 | 109.0° | 109.5° |
| C51 | C52 | H96 | 109.5° | 109.5° |
| C51 | C52 | H97 | 109.4° | 109.5° |
| C51 | C52 | H98 | 109.5° | 109.4° |
| H96 | C52 | H97 | 109.5° | 109.5° |
| H96 | C52 | H98 | 109.5° | 109.5° |
| H97 | C52 | H98 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 180.0° | 179.6° |
| O1 | C1 | C2 | C3 | 46.0° | 0.3° |
| O1 | C1 | C2 | H1 | 74.5° | 120.3° |
| O1 | C1 | C2 | H2 | 166.4° | 119.7° |
| O1 | C1 | N1 | C9 | 0.1° | 0.4° |
| O1 | C1 | N1 | H16 | 180.0° | 179.8° |
| C1 | C2 | C3 | H1 | 120.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | C4 | 155.2° | 180.0° |
| C1 | C2 | H1 | H2 | 118.6° | 120.1° |
| C1 | C2 | C3 | H3 | 84.5° | 60.0° |
| C1 | C2 | C3 | H4 | 34.8° | 60.0° |
| C2 | C1 | N1 | C9 | 180.0° | 180.0° |
| C2 | C1 | N1 | H16 | 0.0° | 0.1° |
| C2 | C3 | C4 | H3 | 120.4° | 119.9° |
| C2 | C3 | C4 | H4 | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 140.8° | 180.0° |
| C3 | C2 | H1 | H2 | 118.6° | 119.9° |
| C2 | C3 | H3 | H4 | 118.9° | 119.9° |
| C2 | C3 | C4 | H5 | 98.5° | 60.0° |
| C2 | C3 | C4 | H6 | 20.1° | 60.0° |
| C3 | C2 | C1 | N1 | 134.1° | 180.0° |
| C3 | C4 | C5 | H5 | 120.7° | 120.0° |
| C3 | C4 | C5 | H6 | 120.7° | 120.0° |
| C3 | C4 | C5 | C7 | 54.9° | 175.0° |
| C3 | C4 | C5 | C6 | 178.2° | 65.0° |
| C4 | C3 | C2 | H1 | 34.7° | 60.0° |
| C4 | C3 | C2 | H2 | 84.4° | 60.0° |
| C4 | C3 | H3 | H4 | 118.9° | 120.1° |
| C3 | C4 | H5 | H6 | 117.9° | 120.0° |
| C3 | C4 | C5 | H7 | 64.4° | 55.0° |
| C4 | C5 | C7 | C6 | 123.0° | 120.0° |
| C4 | C5 | C7 | H7 | 119.3° | 120.0° |
| C4 | C5 | C7 | C8 | 161.2° | 175.0° |
| C4 | C5 | C6 | H7 | 117.5° | 120.0° |
| C5 | C4 | C3 | H3 | 20.4° | 60.0° |
| C5 | C4 | C3 | H4 | 98.8° | 60.0° |
| C5 | C4 | H5 | H6 | 117.9° | 120.0° |
| C4 | C5 | C6 | H8 | 180.0° | 60.0° |
| C4 | C5 | C6 | H9 | 60.0° | 180.0° |
| C4 | C5 | C6 | H10 | 60.0° | 60.0° |
| C4 | C5 | C7 | H11 | 40.8° | 54.9° |
| C4 | C5 | C7 | H12 | 78.4° | 65.0° |
| C5 | C7 | C8 | H11 | 120.4° | 120.0° |
| C5 | C7 | C8 | H12 | 120.5° | 120.0° |
| C7 | C5 | C6 | H7 | 117.7° | 120.0° |
| C7 | C5 | C4 | H5 | 65.8° | 55.0° |
| C7 | C5 | C4 | H6 | 175.6° | 65.0° |
| C7 | C5 | C6 | H8 | 55.2° | 180.0° |
| C7 | C5 | C6 | H9 | 64.8° | 60.0° |
| C7 | C5 | C6 | H10 | 175.2° | 60.0° |
| C5 | C7 | H11 | H12 | 118.7° | 120.0° |
| C5 | C7 | C8 | H13 | 180.0° | 60.0° |
| C5 | C7 | C8 | H14 | 60.0° | 180.0° |
| C5 | C7 | C8 | H15 | 60.0° | 60.0° |
| C8 | C7 | C5 | C6 | 75.8° | 65.0° |
| C8 | C7 | C5 | H7 | 41.9° | 55.0° |
| C8 | C7 | H11 | H12 | 118.6° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C6 | C5 | C4 | H5 | 57.5° | 175.0° |
| C6 | C5 | C4 | H6 | 61.2° | 55.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C6 | C5 | C7 | H11 | 163.8° | 175.0° |
| C6 | C5 | C7 | H12 | 44.6° | 55.0° |
| H1 | C2 | C3 | H3 | 155.1° | 180.0° |
| H1 | C2 | C3 | H4 | 85.7° | 60.1° |
| H1 | C2 | C1 | N1 | 105.5° | 60.0° |
| H2 | C2 | C3 | H3 | 36.0° | 60.0° |
| H2 | C2 | C3 | H4 | 155.3° | 180.0° |
| H2 | C2 | C1 | N1 | 13.6° | 60.0° |
| H3 | C3 | C4 | H5 | 141.1° | 180.0° |
| H3 | C3 | C4 | H6 | 100.2° | 60.0° |
| H4 | C3 | C4 | H5 | 21.8° | 60.0° |
| H4 | C3 | C4 | H6 | 140.5° | 180.0° |
| H5 | C4 | C5 | H7 | 175.0° | 65.0° |
| H6 | C4 | C5 | H7 | 56.3° | 174.9° |
| H7 | C5 | C6 | H8 | 62.5° | 60.0° |
| H7 | C5 | C6 | H9 | 177.5° | 60.0° |
| H7 | C5 | C6 | H10 | 57.5° | 180.0° |
| H7 | C5 | C7 | H11 | 78.5° | 65.1° |
| H7 | C5 | C7 | H12 | 162.4° | 175.0° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | C7 | C8 | H13 | 59.6° | 60.0° |
| H11 | C7 | C8 | H14 | 179.6° | 60.0° |
| H11 | C7 | C8 | H15 | 60.4° | 180.0° |
| H12 | C7 | C8 | H13 | 59.5° | NaN° |
| H12 | C7 | C8 | H14 | 60.5° | 60.0° |
| H12 | C7 | C8 | H15 | 179.5° | 60.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| C9 | N1 | H16 | C1 | 180.0° | 179.9° |
| N1 | C9 | C10 | C11 | 120.4° | 120.0° |
| N1 | C9 | C10 | H17 | 120.0° | 120.1° |
| N1 | C9 | C11 | H17 | 120.3° | 120.0° |
| N1 | C9 | C10 | O2 | 44.7° | 0.0° |
| N1 | C9 | C11 | C12 | 53.1° | 65.0° |
| N1 | C9 | C11 | H18 | 67.3° | 55.0° |
| N1 | C9 | C11 | H19 | 173.6° | 175.0° |
| N1 | C9 | C10 | N3 | 135.0° | 180.0° |
| H16 | N1 | C9 | C10 | 126.9° | 24.9° |
| H16 | N1 | C9 | C11 | 112.1° | 95.1° |
| H16 | N1 | C9 | H17 | 7.6° | 144.9° |
| C10 | C9 | C11 | H17 | 119.6° | 119.9° |
| C9 | C10 | O2 | N3 | 179.7° | 180.0° |
| C10 | C9 | C11 | C12 | 173.2° | 175.0° |
| C10 | C9 | C11 | H18 | 52.8° | 65.1° |
| C10 | C9 | C11 | H19 | 66.3° | 55.0° |
| C9 | C10 | N3 | C13 | 179.9° | 180.0° |
| C9 | C10 | N3 | H24 | 0.1° | 0.0° |
| C10 | C9 | N1 | C1 | 53.1° | 155.0° |
| C11 | C9 | C10 | O2 | 165.1° | 120.0° |
| C9 | C11 | C12 | H18 | 120.5° | 120.0° |
| C9 | C11 | C12 | H19 | 120.4° | 120.0° |
| C9 | C11 | H18 | H19 | 118.6° | 120.0° |
| C9 | C11 | C12 | N2 | 176.1° | 180.0° |
| C9 | C11 | C12 | H20 | 56.0° | 60.1° |
| C9 | C11 | C12 | H21 | 63.7° | 60.0° |
| C11 | C9 | N1 | C1 | 68.0° | 85.1° |
| C11 | C9 | C10 | N3 | 14.6° | 60.0° |
| H17 | C9 | C10 | O2 | 75.3° | 120.0° |
| H17 | C9 | C11 | C12 | 67.2° | 55.0° |
| H17 | C9 | C11 | H18 | 172.4° | 175.0° |
| H17 | C9 | C11 | H19 | 53.3° | 65.0° |
| H17 | C9 | N1 | C1 | 172.4° | 34.9° |
| H17 | C9 | C10 | N3 | 105.0° | 60.0° |
| O2 | C10 | N3 | C13 | 0.2° | 0.0° |
| O2 | C10 | N3 | H24 | 179.8° | 180.0° |
| C12 | C11 | H18 | H19 | 118.7° | 120.0° |
| C11 | C12 | N2 | H20 | 120.2° | 120.0° |
| C11 | C12 | N2 | H21 | 120.2° | 120.1° |
| C11 | C12 | H20 | H21 | 119.6° | 120.1° |
| C11 | C12 | N2 | H22 | 180.0° | 180.0° |
| C11 | C12 | N2 | H23 | 60.0° | 56.1° |
| H18 | C11 | C12 | N2 | 63.4° | 60.1° |
| H18 | C11 | C12 | H20 | 176.5° | 180.0° |
| H18 | C11 | C12 | H21 | 56.7° | 60.0° |
| H19 | C11 | C12 | N2 | 55.7° | 60.0° |
| H19 | C11 | C12 | H20 | 64.4° | 59.9° |
| H19 | C11 | C12 | H21 | 175.8° | 180.0° |
| N2 | C12 | H20 | H21 | 119.6° | 119.9° |
| C12 | N2 | H22 | H23 | 120.0° | 123.9° |
| H20 | C12 | N2 | H22 | 59.9° | 60.0° |
| H20 | C12 | N2 | H23 | 179.8° | 176.1° |
| H21 | C12 | N2 | H22 | 59.8° | 59.9° |
| H21 | C12 | N2 | H23 | 60.1° | 64.0° |
| C13 | N3 | H24 | C10 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 119.2° | 120.0° |
| N3 | C13 | C14 | H25 | 120.6° | 120.1° |
| N3 | C13 | C15 | H25 | 120.9° | 120.0° |
| N3 | C13 | C14 | O3 | 145.1° | 28.9° |
| N3 | C13 | C15 | O4 | 35.4° | 55.3° |
| N3 | C13 | C15 | C16 | 155.3° | 175.4° |
| N3 | C13 | C15 | H26 | 85.4° | 64.7° |
| N3 | C13 | C14 | N4 | 34.5° | 151.0° |
| H24 | N3 | C13 | C14 | 122.4° | 24.9° |
| H24 | N3 | C13 | C15 | 117.8° | 95.0° |
| H24 | N3 | C13 | H25 | 2.5° | 145.0° |
| C14 | C13 | C15 | H25 | 120.2° | 120.0° |
| C13 | C14 | O3 | N4 | 179.6° | 179.9° |
| C14 | C13 | C15 | O4 | 154.3° | 175.3° |
| C14 | C13 | C15 | C16 | 85.8° | 64.6° |
| C14 | C13 | C15 | H26 | 33.4° | 55.3° |
| C13 | C14 | N4 | C17 | 179.5° | 174.9° |
| C13 | C14 | N4 | H31 | 0.5° | 5.1° |
| C14 | C13 | N3 | C10 | 57.6° | 155.0° |
| C15 | C13 | C14 | O3 | 25.8° | 91.0° |
| C13 | C15 | O4 | C16 | 120.5° | 120.0° |
| C13 | C15 | O4 | H26 | 119.7° | 120.0° |
| C13 | C15 | C16 | H26 | 119.3° | 119.9° |
| C13 | C15 | O4 | H27 | 73.1° | 60.0° |
| C13 | C15 | C16 | H28 | 180.0° | 53.9° |
| C13 | C15 | C16 | H29 | 60.0° | 173.8° |
| C13 | C15 | C16 | H30 | 60.0° | 66.1° |
| C15 | C13 | N3 | C10 | 62.2° | 85.0° |
| C15 | C13 | C14 | N4 | 153.7° | 89.1° |
| H25 | C13 | C14 | O3 | 94.4° | 149.0° |
| H25 | C13 | C15 | O4 | 85.5° | 64.7° |
| H25 | C13 | C15 | C16 | 34.3° | 55.4° |
| H25 | C13 | C15 | H26 | 153.6° | 175.3° |
| H25 | C13 | N3 | C10 | 177.5° | 35.0° |
| H25 | C13 | C14 | N4 | 86.1° | 30.9° |
| O3 | C14 | N4 | C17 | 0.0° | 5.0° |
| O3 | C14 | N4 | H31 | 180.0° | 175.0° |
| O4 | C15 | C16 | H26 | 120.9° | 120.0° |
| O4 | C15 | C16 | H28 | 60.2° | 66.2° |
| O4 | C15 | C16 | H29 | 179.8° | 53.8° |
| O4 | C15 | C16 | H30 | 59.8° | 173.8° |
| C16 | C15 | O4 | H27 | 166.4° | 180.0° |
| C15 | C16 | H28 | H29 | 120.0° | 119.9° |
| C15 | C16 | H28 | H30 | 120.0° | 120.0° |
| C15 | C16 | H29 | H30 | 120.0° | 120.0° |
| H26 | C15 | O4 | H27 | 46.6° | 60.0° |
| H26 | C15 | C16 | H28 | 60.7° | 173.8° |
| H26 | C15 | C16 | H29 | 59.3° | 66.3° |
| H26 | C15 | C16 | H30 | 179.3° | 53.8° |
| H28 | C16 | H29 | H30 | 120.0° | 120.0° |
| C17 | N4 | H31 | C14 | 180.0° | 180.0° |
| N4 | C17 | C18 | C19 | 121.1° | 120.1° |
| N4 | C17 | C18 | H32 | 119.9° | 119.9° |
| N4 | C17 | C19 | H32 | 120.3° | 120.0° |
| N4 | C17 | C18 | O5 | 45.3° | 15.5° |
| N4 | C17 | C19 | C20 | 55.2° | 64.2° |
| N4 | C17 | C19 | H33 | 65.2° | 55.8° |
| N4 | C17 | C19 | H34 | 175.7° | 175.8° |
| N4 | C17 | C18 | N6 | 134.3° | 164.6° |
| H31 | N4 | C17 | C18 | 127.9° | 37.8° |
| H31 | N4 | C17 | C19 | 7.0° | 82.3° |
| H31 | N4 | C17 | H32 | 112.7° | 157.8° |
| C18 | C17 | C19 | H32 | 118.9° | 120.0° |
| C17 | C18 | O5 | N6 | 179.6° | 180.0° |
| C18 | C17 | C19 | C20 | 176.0° | 175.8° |
| C18 | C17 | C19 | H33 | 55.6° | 64.2° |
| C18 | C17 | C19 | H34 | 63.5° | 55.7° |
| C17 | C18 | N6 | C21 | 179.2° | 175.0° |
| C17 | C18 | N6 | H39 | 0.8° | 4.9° |
| C18 | C17 | N4 | C14 | 52.1° | 142.2° |
| C19 | C17 | C18 | O5 | 75.8° | 104.6° |
| C17 | C19 | C20 | H33 | 120.4° | 120.0° |
| C17 | C19 | C20 | H34 | 120.4° | 120.0° |
| C17 | C19 | H33 | H34 | 118.6° | 119.9° |
| C17 | C19 | C20 | N5 | 62.2° | 180.0° |
| C17 | C19 | C20 | H35 | 57.9° | 60.0° |
| C17 | C19 | C20 | H36 | 177.7° | 60.0° |
| C19 | C17 | N4 | C14 | 173.0° | 97.7° |
| C19 | C17 | C18 | N6 | 104.6° | 75.4° |
| H32 | C17 | C18 | O5 | 165.3° | 135.4° |
| H32 | C17 | C19 | C20 | 65.1° | 55.8° |
| H32 | C17 | C19 | H33 | 174.5° | 175.8° |
| H32 | C17 | C19 | H34 | 55.4° | 64.3° |
| H32 | C17 | N4 | C14 | 67.2° | 22.3° |
| H32 | C17 | C18 | N6 | 14.3° | 44.6° |
| O5 | C18 | N6 | C21 | 0.4° | 5.0° |
| O5 | C18 | N6 | H39 | 179.5° | 175.1° |
| C20 | C19 | H33 | H34 | 118.7° | 120.1° |
| C19 | C20 | N5 | H35 | 120.1° | 120.0° |
| C19 | C20 | N5 | H36 | 120.1° | 120.0° |
| C19 | C20 | H35 | H36 | 119.7° | 119.9° |
| C19 | C20 | N5 | H37 | 180.0° | 180.0° |
| C19 | C20 | N5 | H38 | 60.0° | 56.1° |
| H33 | C19 | C20 | N5 | 177.4° | 60.0° |
| H33 | C19 | C20 | H35 | 62.5° | 180.0° |
| H33 | C19 | C20 | H36 | 57.3° | 60.0° |
| H34 | C19 | C20 | N5 | 58.3° | 60.0° |
| H34 | C19 | C20 | H35 | 178.4° | 60.0° |
| H34 | C19 | C20 | H36 | 61.9° | 180.0° |
| N5 | C20 | H35 | H36 | 119.6° | 120.1° |
| C20 | N5 | H37 | H38 | 120.0° | 123.9° |
| H35 | C20 | N5 | H37 | 59.9° | 60.0° |
| H35 | C20 | N5 | H38 | 179.9° | 176.1° |
| H36 | C20 | N5 | H37 | 59.9° | 60.0° |
| H36 | C20 | N5 | H38 | 60.2° | 63.9° |
| C21 | N6 | H39 | C18 | 180.0° | 180.0° |
| N6 | C21 | C22 | C23 | 123.9° | 120.1° |
| N6 | C21 | C22 | H40 | 120.1° | 120.5° |
| N6 | C21 | C23 | H40 | 118.3° | 118.7° |
| N6 | C21 | C22 | O6 | 78.0° | 77.8° |
| N6 | C21 | C23 | C24 | 154.4° | 43.0° |
| N6 | C21 | C23 | H41 | 34.2° | 163.3° |
| N6 | C21 | C23 | H42 | 85.4° | 77.5° |
| N6 | C21 | C22 | N8 | 103.1° | 102.2° |
| H39 | N6 | C21 | C22 | 161.4° | 20.7° |
| H39 | N6 | C21 | C23 | 76.0° | 99.6° |
| H39 | N6 | C21 | H40 | 41.8° | 142.3° |
| C22 | C21 | C23 | H40 | 116.0° | 121.1° |
| C21 | C22 | O6 | N8 | 178.9° | 180.0° |
| C22 | C21 | C23 | C24 | 79.9° | 77.2° |
| C22 | C21 | C23 | H41 | 159.9° | 43.2° |
| C22 | C21 | C23 | H42 | 40.3° | 162.4° |
| C21 | C22 | N8 | C25 | 179.1° | 3.8° |
| C21 | C22 | N8 | H46 | 0.9° | 176.8° |
| C22 | C21 | N6 | C18 | 18.6° | 159.3° |
| C23 | C21 | C22 | O6 | 46.0° | 42.3° |
| C21 | C23 | C24 | H41 | 120.2° | 120.2° |
| C21 | C23 | C24 | H42 | 120.2° | 120.3° |
| C21 | C23 | H41 | H42 | 119.4° | 119.3° |
| C21 | C23 | C24 | N7 | 88.9° | 178.2° |
| C21 | C23 | C24 | H43 | 31.3° | 62.7° |
| C21 | C23 | C24 | H44 | 150.8° | 58.7° |
| C23 | C21 | N6 | C18 | 104.0° | 80.4° |
| C23 | C21 | C22 | N8 | 133.0° | 137.7° |
| H40 | C21 | C22 | O6 | 162.0° | 161.7° |
| H40 | C21 | C23 | C24 | 36.1° | 161.7° |
| H40 | C21 | C23 | H41 | 84.1° | 78.0° |
| H40 | C21 | C23 | H42 | 156.3° | 41.2° |
| H40 | C21 | N6 | C18 | 138.2° | 37.7° |
| H40 | C21 | C22 | N8 | 17.0° | 18.3° |
| O6 | C22 | N8 | C25 | 0.2° | 176.1° |
| O6 | C22 | N8 | H46 | 179.8° | 3.2° |
| C24 | C23 | H41 | H42 | 119.5° | 119.7° |
| C23 | C24 | N7 | H43 | 120.3° | 120.3° |
| C23 | C24 | N7 | H44 | 120.3° | 120.1° |
| C23 | C24 | H43 | H44 | 119.2° | 121.7° |
| C23 | C24 | N7 | H45 | 79.6° | 99.6° |
| C23 | C24 | N7 | C50 | 100.4° | 80.2° |
| H41 | C23 | C24 | N7 | 150.9° | 57.9° |
| H41 | C23 | C24 | H43 | 88.9° | 177.1° |
| H41 | C23 | C24 | H44 | 30.6° | 61.5° |
| H42 | C23 | C24 | N7 | 31.2° | 61.6° |
| H42 | C23 | C24 | H43 | 151.5° | 57.6° |
| H42 | C23 | C24 | H44 | 89.0° | 179.0° |
| N7 | C24 | H43 | H44 | 119.2° | 119.3° |
| C24 | N7 | H45 | C50 | 180.0° | 179.7° |
| C24 | N7 | C50 | C49 | 179.6° | 178.6° |
| C24 | N7 | C50 | O12 | 0.4° | 1.8° |
| H43 | C24 | N7 | H45 | 160.1° | 140.1° |
| H43 | C24 | N7 | C50 | 19.9° | 40.1° |
| H44 | C24 | N7 | H45 | 40.6° | 20.5° |
| H44 | C24 | N7 | C50 | 139.3° | 159.7° |
| H45 | N7 | C50 | C49 | 0.4° | 1.1° |
| H45 | N7 | C50 | O12 | 179.6° | 178.4° |
| C25 | N8 | H46 | C22 | 180.0° | 179.4° |
| N8 | C25 | C26 | C27 | 121.5° | 126.1° |
| N8 | C25 | C26 | H47 | 119.2° | 117.0° |
| N8 | C25 | C27 | H47 | 121.1° | 118.4° |
| N8 | C25 | C26 | O7 | 141.5° | 19.6° |
| N8 | C25 | C27 | C28 | 50.2° | 64.9° |
| N8 | C25 | C27 | H48 | 170.8° | 55.1° |
| N8 | C25 | C27 | H49 | 70.4° | 175.1° |
| N8 | C25 | C26 | N10 | 37.9° | 160.9° |
| H46 | N8 | C25 | C26 | 4.5° | 115.2° |
| H46 | N8 | C25 | C27 | 116.5° | 119.3° |
| H46 | N8 | C25 | H47 | 123.0° | 1.3° |
| C26 | C25 | C27 | H47 | 119.4° | 116.7° |
| C25 | C26 | O7 | N10 | 179.3° | 179.5° |
| C26 | C25 | C27 | C28 | 69.3° | 170.2° |
| C26 | C25 | C27 | H48 | 51.3° | 69.8° |
| C26 | C25 | C27 | H49 | 170.1° | 50.2° |
| C25 | C26 | N10 | C29 | 180.0° | 165.2° |
| C25 | C26 | N10 | H54 | 0.0° | 14.6° |
| C26 | C25 | N8 | C22 | 175.6° | 64.2° |
| C27 | C25 | C26 | O7 | 97.1° | 106.4° |
| C25 | C27 | C28 | H48 | 120.6° | 120.0° |
| C25 | C27 | C28 | H49 | 120.6° | 120.1° |
| C25 | C27 | H48 | H49 | 118.2° | 120.1° |
| C25 | C27 | C28 | N9 | 129.0° | 176.6° |
| C25 | C27 | C28 | H50 | 111.0° | 56.6° |
| C25 | C27 | C28 | H51 | 8.9° | 63.4° |
| C27 | C25 | N8 | C22 | 63.5° | 61.4° |
| C27 | C25 | C26 | N10 | 83.6° | 73.0° |
| H47 | C25 | C26 | O7 | 22.3° | 136.6° |
| H47 | C25 | C27 | C28 | 171.3° | 53.5° |
| H47 | C25 | C27 | H48 | 68.1° | 173.5° |
| H47 | C25 | C27 | H49 | 50.7° | 66.5° |
| H47 | C25 | N8 | C22 | 57.0° | 179.4° |
| H47 | C25 | C26 | N10 | 157.1° | 43.9° |
| O7 | C26 | N10 | C29 | 0.6° | 15.3° |
| O7 | C26 | N10 | H54 | 179.4° | 164.8° |
| C28 | C27 | H48 | H49 | 118.2° | 119.9° |
| C27 | C28 | N9 | H50 | 120.1° | 120.0° |
| C27 | C28 | N9 | H51 | 120.0° | 120.0° |
| C27 | C28 | H50 | H51 | 119.9° | 120.0° |
| C27 | C28 | N9 | H52 | 180.0° | 176.1° |
| C27 | C28 | N9 | H53 | 60.0° | 59.9° |
| H48 | C27 | C28 | N9 | 8.4° | 63.4° |
| H48 | C27 | C28 | H50 | 128.4° | 176.6° |
| H48 | C27 | C28 | H51 | 111.7° | 56.6° |
| H49 | C27 | C28 | N9 | 110.4° | 56.5° |
| H49 | C27 | C28 | H50 | 9.6° | 63.5° |
| H49 | C27 | C28 | H51 | 129.5° | 176.5° |
| N9 | C28 | H50 | H51 | 119.9° | 120.0° |
| C28 | N9 | H52 | H53 | 120.0° | 123.9° |
| H50 | C28 | N9 | H52 | 59.9° | 56.2° |
| H50 | C28 | N9 | H53 | 179.9° | 179.9° |
| H51 | C28 | N9 | H52 | 60.0° | 63.8° |
| H51 | C28 | N9 | H53 | 60.0° | 60.1° |
| C29 | N10 | H54 | C26 | 180.0° | 179.8° |
| N10 | C29 | C30 | C34 | 119.4° | 123.0° |
| N10 | C29 | C30 | H55 | 121.0° | 119.3° |
| N10 | C29 | C34 | H55 | 120.1° | 118.7° |
| N10 | C29 | C30 | C31 | 67.6° | 65.0° |
| N10 | C29 | C30 | H56 | 52.9° | 175.0° |
| N10 | C29 | C30 | H57 | 171.8° | 54.9° |
| N10 | C29 | C34 | O8 | 32.7° | 34.1° |
| N10 | C29 | C34 | N11 | 147.1° | 146.8° |
| H54 | N10 | C29 | C30 | 1.7° | 128.7° |
| H54 | N10 | C29 | C34 | 118.5° | 108.6° |
| H54 | N10 | C29 | H55 | 122.1° | 9.7° |
| C30 | C29 | C34 | H55 | 119.5° | 117.9° |
| C29 | C30 | C31 | H56 | 120.6° | 120.0° |
| C29 | C30 | C31 | H57 | 120.5° | 120.0° |
| C29 | C30 | H56 | H57 | 118.3° | 120.0° |
| C29 | C30 | C31 | C32 | 136.4° | 175.0° |
| C29 | C30 | C31 | C33 | 99.8° | 65.0° |
| C29 | C30 | C31 | H58 | 18.5° | 55.0° |
| C30 | C29 | C34 | O8 | 87.7° | 89.3° |
| C30 | C29 | N10 | C26 | 178.3° | 51.2° |
| C30 | C29 | C34 | N11 | 92.5° | 89.8° |
| C34 | C29 | C30 | C31 | 51.8° | 172.0° |
| C34 | C29 | C30 | H56 | 172.3° | 52.0° |
| C34 | C29 | C30 | H57 | 68.8° | 68.1° |
| C29 | C34 | O8 | N11 | 179.8° | 179.1° |
| C29 | C34 | N11 | C35 | 179.8° | 178.4° |
| C29 | C34 | N11 | H65 | 0.2° | 1.3° |
| C34 | C29 | N10 | C26 | 61.5° | 71.6° |
| H55 | C29 | C30 | C31 | 171.3° | 54.3° |
| H55 | C29 | C30 | H56 | 68.1° | 65.7° |
| H55 | C29 | C30 | H57 | 50.8° | 174.2° |
| H55 | C29 | C34 | O8 | 152.8° | 152.8° |
| H55 | C29 | N10 | C26 | 57.9° | 170.2° |
| H55 | C29 | C34 | N11 | 27.0° | 28.1° |
| C31 | C30 | H56 | H57 | 118.3° | 120.0° |
| C30 | C31 | C32 | C33 | 124.2° | 120.0° |
| C30 | C31 | C32 | H58 | 117.9° | 120.0° |
| C30 | C31 | C33 | H58 | 118.3° | 120.0° |
| C30 | C31 | C32 | H59 | 180.0° | 60.0° |
| C30 | C31 | C32 | H60 | 60.0° | 180.0° |
| C30 | C31 | C32 | H61 | 60.0° | 60.0° |
| C30 | C31 | C33 | H62 | 180.0° | 60.0° |
| C30 | C31 | C33 | H63 | 60.0° | 180.0° |
| C30 | C31 | C33 | H64 | 60.0° | 59.9° |
| H56 | C30 | C31 | C32 | 15.9° | 55.0° |
| H56 | C30 | C31 | C33 | 139.6° | 175.0° |
| H56 | C30 | C31 | H58 | 102.1° | 65.0° |
| H57 | C30 | C31 | C32 | 103.0° | 65.0° |
| H57 | C30 | C31 | C33 | 20.7° | 55.0° |
| H57 | C30 | C31 | H58 | 139.0° | 175.0° |
| C32 | C31 | C33 | H58 | 117.9° | 120.0° |
| C31 | C32 | H59 | H60 | 120.0° | 120.0° |
| C31 | C32 | H59 | H61 | 120.0° | 120.0° |
| C31 | C32 | H60 | H61 | 120.0° | 120.0° |
| C32 | C31 | C33 | H62 | 56.1° | 180.0° |
| C32 | C31 | C33 | H63 | 63.9° | 60.0° |
| C32 | C31 | C33 | H64 | 176.1° | 60.0° |
| C33 | C31 | C32 | H59 | 55.8° | 60.0° |
| C33 | C31 | C32 | H60 | 175.8° | 60.0° |
| C33 | C31 | C32 | H61 | 64.2° | 180.0° |
| C31 | C33 | H62 | H63 | 120.0° | 120.0° |
| C31 | C33 | H62 | H64 | 120.0° | 120.0° |
| C31 | C33 | H63 | H64 | 120.0° | 120.0° |
| H58 | C31 | C32 | H59 | 62.0° | 179.9° |
| H58 | C31 | C32 | H60 | 57.9° | 60.1° |
| H58 | C31 | C32 | H61 | 177.9° | 59.9° |
| H58 | C31 | C33 | H62 | 61.7° | 60.0° |
| H58 | C31 | C33 | H63 | 178.3° | 60.0° |
| H58 | C31 | C33 | H64 | 58.3° | 179.9° |
| H59 | C32 | H60 | H61 | 120.0° | 120.0° |
| H62 | C33 | H63 | H64 | 120.0° | 119.9° |
| O8 | C34 | N11 | C35 | 0.1° | 2.5° |
| O8 | C34 | N11 | H65 | 179.9° | 177.8° |
| C35 | N11 | H65 | C34 | 180.0° | 179.6° |
| N11 | C35 | C36 | C37 | 119.4° | 123.1° |
| N11 | C35 | C36 | H66 | 120.3° | 118.3° |
| N11 | C35 | C37 | H66 | 119.9° | 119.1° |
| N11 | C35 | C36 | O9 | 111.8° | 3.0° |
| N11 | C35 | C37 | C38 | 150.3° | 66.5° |
| N11 | C35 | C37 | H67 | 29.8° | 53.5° |
| N11 | C35 | C37 | H68 | 89.2° | 173.5° |
| N11 | C35 | C36 | N12 | 67.7° | 176.7° |
| H65 | N11 | C35 | C36 | 45.2° | 119.2° |
| H65 | N11 | C35 | C37 | 76.0° | 117.8° |
| H65 | N11 | C35 | H66 | 164.8° | 1.2° |
| C36 | C35 | C37 | H66 | 120.3° | 118.4° |
| C35 | C36 | O9 | N12 | 179.5° | 179.8° |
| C36 | C35 | C37 | C38 | 89.9° | 171.0° |
| C36 | C35 | C37 | H67 | 149.6° | 69.0° |
| C36 | C35 | C37 | H68 | 30.6° | 51.0° |
| C35 | C36 | N12 | C41 | 0.6° | 176.0° |
| C35 | C36 | N12 | H76 | 179.3° | 3.3° |
| C36 | C35 | N11 | C34 | 134.8° | 61.1° |
| C37 | C35 | C36 | O9 | 7.6° | 120.1° |
| C35 | C37 | C38 | H67 | 120.5° | 120.0° |
| C35 | C37 | C38 | H68 | 120.5° | 120.1° |
| C35 | C37 | H67 | H68 | 118.4° | 120.0° |
| C35 | C37 | C38 | C39 | 99.6° | 174.7° |
| C35 | C37 | C38 | C40 | 136.6° | 65.4° |
| C35 | C37 | C38 | H69 | 18.5° | 54.7° |
| C37 | C35 | N11 | C34 | 104.0° | 61.8° |
| C37 | C35 | C36 | N12 | 172.8° | 60.2° |
| H66 | C35 | C36 | O9 | 128.0° | 121.4° |
| H66 | C35 | C37 | C38 | 30.4° | 52.6° |
| H66 | C35 | C37 | H67 | 90.1° | 172.6° |
| H66 | C35 | C37 | H68 | 150.9° | 67.5° |
| H66 | C35 | N11 | C34 | 15.2° | 179.2° |
| H66 | C35 | C36 | N12 | 52.5° | 58.4° |
| O9 | C36 | N12 | C41 | 179.8° | 3.8° |
| O9 | C36 | N12 | H76 | 0.2° | 176.9° |
| C38 | C37 | H67 | H68 | 118.5° | 120.0° |
| C37 | C38 | C39 | C40 | 123.7° | 120.0° |
| C37 | C38 | C39 | H69 | 118.1° | 120.0° |
| C37 | C38 | C40 | H69 | 118.1° | 120.1° |
| C37 | C38 | C39 | H70 | 180.0° | 175.2° |
| C37 | C38 | C39 | H71 | 60.0° | 64.8° |
| C37 | C38 | C39 | H72 | 60.0° | 55.3° |
| C37 | C38 | C40 | H73 | 180.0° | 60.0° |
| C37 | C38 | C40 | H74 | 60.0° | 180.0° |
| C37 | C38 | C40 | H75 | 60.0° | 59.9° |
| H67 | C37 | C38 | C39 | 20.9° | 54.7° |
| H67 | C37 | C38 | C40 | 102.9° | 174.7° |
| H67 | C37 | C38 | H69 | 139.0° | 65.3° |
| H68 | C37 | C38 | C39 | 139.9° | 65.3° |
| H68 | C37 | C38 | C40 | 16.1° | 54.7° |
| H68 | C37 | C38 | H69 | 102.0° | 174.7° |
| C39 | C38 | C40 | H69 | 118.2° | 120.0° |
| C38 | C39 | H70 | H71 | 120.0° | 120.0° |
| C38 | C39 | H70 | H72 | 120.0° | 120.0° |
| C38 | C39 | H71 | H72 | 120.0° | 120.0° |
| C39 | C38 | C40 | H73 | 56.4° | 179.9° |
| C39 | C38 | C40 | H74 | 63.7° | 60.0° |
| C39 | C38 | C40 | H75 | 176.3° | 60.0° |
| C40 | C38 | C39 | H70 | 56.3° | 55.3° |
| C40 | C38 | C39 | H71 | 176.3° | 175.2° |
| C40 | C38 | C39 | H72 | 63.7° | 64.7° |
| C38 | C40 | H73 | H74 | 120.0° | 120.1° |
| C38 | C40 | H73 | H75 | 120.0° | 119.9° |
| C38 | C40 | H74 | H75 | 120.0° | 120.0° |
| H69 | C38 | C39 | H70 | 61.9° | 64.7° |
| H69 | C38 | C39 | H71 | 58.1° | 55.2° |
| H69 | C38 | C39 | H72 | 178.1° | 175.3° |
| H69 | C38 | C40 | H73 | 61.9° | 60.1° |
| H69 | C38 | C40 | H74 | 178.1° | 59.9° |
| H69 | C38 | C40 | H75 | 58.1° | 180.0° |
| H70 | C39 | H71 | H72 | 120.0° | 120.0° |
| H73 | C40 | H74 | H75 | 120.0° | 119.9° |
| C41 | N12 | H76 | C36 | 180.0° | 179.3° |
| N12 | C41 | C42 | C43 | 119.0° | 119.1° |
| N12 | C41 | C42 | H77 | 121.6° | 120.3° |
| N12 | C41 | C43 | H77 | 120.9° | 120.2° |
| N12 | C41 | C42 | O10 | 44.4° | 25.9° |
| N12 | C41 | C43 | C44 | 166.5° | 65.0° |
| N12 | C41 | C43 | H78 | 46.1° | 55.0° |
| N12 | C41 | C43 | H79 | 73.0° | 175.0° |
| N12 | C41 | C42 | N14 | 135.8° | 155.7° |
| H76 | N12 | C41 | C42 | 21.7° | 90.2° |
| H76 | N12 | C41 | C43 | 97.1° | 29.7° |
| H76 | N12 | C41 | H77 | 142.7° | 149.6° |
| C42 | C41 | C43 | H77 | 119.4° | 120.7° |
| C41 | C42 | O10 | N14 | 179.7° | 178.4° |
| C42 | C41 | C43 | C44 | 73.7° | 175.9° |
| C42 | C41 | C43 | H78 | 165.8° | 64.1° |
| C42 | C41 | C43 | H79 | 46.8° | 55.9° |
| C41 | C42 | N14 | C45 | 179.5° | 171.3° |
| C41 | C42 | N14 | H84 | 0.5° | 10.0° |
| C42 | C41 | N12 | C36 | 158.3° | 90.5° |
| C43 | C41 | C42 | O10 | 74.6° | 145.0° |
| C41 | C43 | C44 | H78 | 120.5° | 120.0° |
| C41 | C43 | C44 | H79 | 120.5° | 120.0° |
| C41 | C43 | H78 | H79 | 118.6° | 120.0° |
| C41 | C43 | C44 | N13 | 116.8° | 180.0° |
| C41 | C43 | C44 | H80 | 3.4° | 60.0° |
| C41 | C43 | C44 | H81 | 123.0° | 60.0° |
| C43 | C41 | N12 | C36 | 82.9° | 149.6° |
| C43 | C41 | C42 | N14 | 105.1° | 36.6° |
| H77 | C41 | C42 | O10 | 166.0° | 94.4° |
| H77 | C41 | C43 | C44 | 45.7° | 55.2° |
| H77 | C41 | C43 | H78 | 74.8° | 175.2° |
| H77 | C41 | C43 | H79 | 166.1° | 64.8° |
| H77 | C41 | N12 | C36 | 37.3° | 29.6° |
| H77 | C41 | C42 | N14 | 14.2° | 84.0° |
| O10 | C42 | N14 | C45 | 0.3° | 10.3° |
| O10 | C42 | N14 | H84 | 179.7° | 168.3° |
| C44 | C43 | H78 | H79 | 118.6° | 120.0° |
| C43 | C44 | N13 | H80 | 120.2° | 120.1° |
| C43 | C44 | N13 | H81 | 120.2° | 120.0° |
| C43 | C44 | H80 | H81 | 119.4° | 120.0° |
| C43 | C44 | N13 | H82 | 180.0° | 180.0° |
| C43 | C44 | N13 | H83 | 60.0° | 56.0° |
| H78 | C43 | C44 | N13 | 122.7° | 60.0° |
| H78 | C43 | C44 | H80 | 117.1° | 180.0° |
| H78 | C43 | C44 | H81 | 2.6° | 60.0° |
| H79 | C43 | C44 | N13 | 3.7° | 60.0° |
| H79 | C43 | C44 | H80 | 123.9° | 60.0° |
| H79 | C43 | C44 | H81 | 116.5° | 180.0° |
| N13 | C44 | H80 | H81 | 119.5° | 119.9° |
| C44 | N13 | H82 | H83 | 120.0° | 123.9° |
| H80 | C44 | N13 | H82 | 59.8° | 59.9° |
| H80 | C44 | N13 | H83 | 179.8° | 176.1° |
| H81 | C44 | N13 | H82 | 59.9° | 60.0° |
| H81 | C44 | N13 | H83 | 60.1° | 64.0° |
| C45 | N14 | H84 | C42 | 180.0° | 178.6° |
| N14 | C45 | C46 | C47 | 122.6° | 123.6° |
| N14 | C45 | C46 | H85 | 121.1° | 118.1° |
| N14 | C45 | C47 | H85 | 119.6° | 119.0° |
| N14 | C45 | C46 | O11 | 149.3° | 16.1° |
| N14 | C45 | C47 | C48 | 163.1° | 65.0° |
| N14 | C45 | C47 | H86 | 43.0° | 55.0° |
| N14 | C45 | C47 | H87 | 76.7° | 175.0° |
| N14 | C45 | C46 | N16 | 31.4° | 163.7° |
| H84 | N14 | C45 | C46 | 14.7° | 108.2° |
| H84 | N14 | C45 | C47 | 105.7° | 128.7° |
| H84 | N14 | C45 | H85 | 135.2° | 9.8° |
| C46 | C45 | C47 | H85 | 116.3° | 118.4° |
| C45 | C46 | O11 | N16 | 179.3° | 179.8° |
| C46 | C45 | C47 | C48 | 72.8° | 172.4° |
| C46 | C45 | C47 | H86 | 167.1° | 67.7° |
| C46 | C45 | C47 | H87 | 47.4° | 52.4° |
| C45 | C46 | N16 | C49 | 179.7° | 175.3° |
| C45 | C46 | N16 | H92 | 0.4° | 4.5° |
| C46 | C45 | N14 | C42 | 165.3° | 70.5° |
| C47 | C45 | C46 | O11 | 88.1° | 107.5° |
| C45 | C47 | C48 | H86 | 120.2° | 119.9° |
| C45 | C47 | C48 | H87 | 120.1° | 120.0° |
| C45 | C47 | H86 | H87 | 119.5° | 120.0° |
| C45 | C47 | C48 | N15 | 100.0° | 180.0° |
| C45 | C47 | C48 | H88 | 20.2° | 60.1° |
| C45 | C47 | C48 | H89 | 139.8° | 60.0° |
| C47 | C45 | N14 | C42 | 74.3° | 52.6° |
| C47 | C45 | C46 | N16 | 91.1° | 72.7° |
| H85 | C45 | C46 | O11 | 28.3° | 134.1° |
| H85 | C45 | C47 | C48 | 43.5° | 54.0° |
| H85 | C45 | C47 | H86 | 76.6° | 174.0° |
| H85 | C45 | C47 | H87 | 163.7° | 66.0° |
| H85 | C45 | N14 | C42 | 44.8° | 171.5° |
| H85 | C45 | C46 | N16 | 152.5° | 45.6° |
| O11 | C46 | N16 | C49 | 0.4° | 4.4° |
| O11 | C46 | N16 | H92 | 179.6° | 175.7° |
| C48 | C47 | H86 | H87 | 119.5° | 120.0° |
| C47 | C48 | N15 | H88 | 120.2° | 120.0° |
| C47 | C48 | N15 | H89 | 120.2° | 120.0° |
| C47 | C48 | H88 | H89 | 119.5° | 120.0° |
| C47 | C48 | N15 | H90 | 180.0° | 180.0° |
| C47 | C48 | N15 | H91 | 60.0° | 56.0° |
| H86 | C47 | C48 | N15 | 139.9° | 60.0° |
| H86 | C47 | C48 | H88 | 100.0° | 180.0° |
| H86 | C47 | C48 | H89 | 19.7° | 60.0° |
| H87 | C47 | C48 | N15 | 20.2° | 60.0° |
| H87 | C47 | C48 | H88 | 140.3° | 60.0° |
| H87 | C47 | C48 | H89 | 100.0° | 180.0° |
| N15 | C48 | H88 | H89 | 119.5° | 120.0° |
| C48 | N15 | H90 | H91 | 120.0° | 124.0° |
| H88 | C48 | N15 | H90 | 59.8° | 60.0° |
| H88 | C48 | N15 | H91 | 179.8° | 176.0° |
| H89 | C48 | N15 | H90 | 59.8° | 60.0° |
| H89 | C48 | N15 | H91 | 60.1° | 63.9° |
| C49 | N16 | H92 | C46 | 180.0° | 179.8° |
| N16 | C49 | C50 | C51 | 120.5° | 119.9° |
| N16 | C49 | C50 | H93 | 121.9° | 120.1° |
| N16 | C49 | C51 | H93 | 119.3° | 120.3° |
| N16 | C49 | C50 | O12 | 10.8° | 33.5° |
| N16 | C49 | C51 | O13 | 162.0° | 65.1° |
| N16 | C49 | C51 | C52 | 42.2° | 55.0° |
| N16 | C49 | C51 | H94 | 77.2° | 175.0° |
| N16 | C49 | C50 | N7 | 169.3° | 147.0° |
| H92 | N16 | C49 | C50 | 5.5° | 111.4° |
| H92 | N16 | C49 | C51 | 114.3° | 8.6° |
| H92 | N16 | C49 | H93 | 126.9° | 128.6° |
| C50 | C49 | C51 | H93 | 117.7° | 120.1° |
| C49 | C50 | O12 | N7 | 179.9° | 179.5° |
| C50 | C49 | C51 | O13 | 39.0° | 54.5° |
| C50 | C49 | C51 | C52 | 80.8° | 174.6° |
| C50 | C49 | C51 | H94 | 159.8° | 65.4° |
| C50 | C49 | N16 | C46 | 174.5° | 68.8° |
| C51 | C49 | C50 | O12 | 109.7° | 86.5° |
| C49 | C51 | O13 | C52 | 120.1° | 120.1° |
| C49 | C51 | O13 | H94 | 119.7° | 119.9° |
| C49 | C51 | C52 | H94 | 119.3° | 120.0° |
| C49 | C51 | O13 | H95 | 180.0° | 180.0° |
| C49 | C51 | C52 | H96 | 180.0° | 180.0° |
| C49 | C51 | C52 | H97 | 60.0° | 60.0° |
| C49 | C51 | C52 | H98 | 60.0° | 60.0° |
| C51 | C49 | C50 | N7 | 70.2° | 93.1° |
| C51 | C49 | N16 | C46 | 65.7° | 171.2° |
| H93 | C49 | C50 | O12 | 132.6° | 153.6° |
| H93 | C49 | C51 | O13 | 78.7° | 174.6° |
| H93 | C49 | C51 | C52 | 161.5° | 65.3° |
| H93 | C49 | C51 | H94 | 42.2° | 54.7° |
| H93 | C49 | C50 | N7 | 47.4° | 26.9° |
| H93 | C49 | N16 | C46 | 53.1° | 51.2° |
| O13 | C51 | C52 | H94 | 121.3° | 120.0° |
| O13 | C51 | C52 | H96 | 60.6° | 60.0° |
| O13 | C51 | C52 | H97 | 179.4° | 180.0° |
| O13 | C51 | C52 | H98 | 59.4° | 60.0° |
| C52 | C51 | O13 | H95 | 59.9° | 59.9° |
| C51 | C52 | H96 | H97 | 120.0° | 120.0° |
| C51 | C52 | H96 | H98 | 120.0° | 120.0° |
| C51 | C52 | H97 | H98 | 120.0° | 120.0° |
| H94 | C51 | O13 | H95 | 60.3° | 60.0° |
| H94 | C51 | C52 | H96 | 60.7° | 59.9° |
| H94 | C51 | C52 | H97 | 59.3° | 60.0° |
| H94 | C51 | C52 | H98 | 179.3° | 180.0° |
| H96 | C52 | H97 | H98 | 120.0° | 120.1° |
