RFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.48Å | |
| O5 | C12 | sing | 1.42Å | 1.41Å | |
| O5 | C29 | sing | 1.35Å | 1.44Å | |
| C12 | O3 | sing | 1.44Å | 1.49Å | |
| C12 | C11 | sing | 1.55Å | 1.40Å | |
| O3 | C6 | sing | 1.36Å | 1.41Å | |
| C29 | C28 | doub | 1.32Å | 1.41Å | |
| C11 | O4 | sing | 1.43Å | 1.40Å | |
| C11 | C5 | sing | 1.52Å | 1.47Å | |
| C6 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.45Å | Aromatic |
| C14 | C7 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C37 | O6 | sing | 1.43Å | 1.39Å | |
| C5 | C10 | sing | 1.40Å | 1.46Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| O6 | C27 | sing | 1.43Å | 1.38Å | |
| C27 | C26 | sing | 1.52Å | 1.53Å | |
| O12 | C4 | sing | 1.36Å | 1.38Å | |
| C10 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.47Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.37Å | |
| C26 | C34 | sing | 1.54Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.36Å | 1.42Å | Aromatic |
| C9 | C1 | doub | 1.42Å | 1.45Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C35 | O8 | doub | 1.21Å | 1.22Å | |
| C35 | O7 | sing | 1.34Å | 1.37Å | |
| O7 | C25 | sing | 1.45Å | 1.37Å | |
| C25 | C24 | sing | 1.54Å | 1.55Å | |
| C3 | C2 | doub | 1.42Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.41Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.38Å | |
| C2 | N1 | sing | 1.40Å | 1.47Å | |
| C24 | C33 | sing | 1.53Å | 1.50Å | |
| C24 | C23 | sing | 1.52Å | 1.55Å | |
| O9 | C23 | sing | 1.44Å | 1.37Å | |
| C23 | C22 | sing | 1.52Å | 1.56Å | |
| N1 | C15 | sing | 1.34Å | 1.47Å | |
| O11 | C15 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.43Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C32 | sing | 1.52Å | 1.52Å | |
| C21 | O10 | sing | 1.43Å | 1.38Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C16 | C30 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.36Å | 1.54Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | C31 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | doub | 1.34Å | 1.40Å | |
| C18 | C17 | sing | 1.45Å | 1.53Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.10Å | 1.10Å | |
| C22 | H16 | sing | 1.11Å | 1.10Å | |
| C23 | H17 | sing | 1.10Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.10Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| N1 | H45 | sing | 0.97Å | 1.00Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å | |
| O2 | H47 | sing | 0.97Å | 0.95Å | |
| O4 | H48 | sing | 0.97Å | 0.95Å | |
| O9 | H49 | sing | 0.97Å | 0.95Å | |
| O10 | H50 | sing | 0.97Å | 0.95Å | |
| O12 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | O5 | 114.6° | 111.5° |
| C13 | C12 | O3 | 106.5° | 109.7° |
| C13 | C12 | C11 | 110.0° | 110.0° |
| C12 | C13 | H3 | 109.5° | 109.6° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | O5 | C29 | 124.0° | 119.8° |
| O5 | C12 | O3 | 114.1° | 111.0° |
| O5 | C12 | C11 | 107.8° | 110.6° |
| O5 | C29 | C28 | 121.9° | 120.7° |
| O5 | C29 | H23 | 119.0° | 120.7° |
| O3 | C12 | C11 | 103.3° | 103.7° |
| C12 | O3 | C6 | 108.9° | 111.2° |
| C12 | C11 | O4 | 122.9° | 111.2° |
| C12 | C11 | C5 | 111.1° | 104.0° |
| C12 | C11 | H2 | 96.1° | 110.6° |
| O3 | C6 | C5 | 109.8° | 112.8° |
| O3 | C6 | C7 | 130.5° | 128.5° |
| C29 | C28 | C27 | 123.5° | 119.4° |
| C29 | C28 | H22 | 118.3° | 120.1° |
| C28 | C29 | H23 | 119.1° | 118.6° |
| O4 | C11 | C5 | 122.7° | 110.2° |
| O4 | C11 | H2 | 96.2° | 110.4° |
| C11 | O4 | H48 | 109.5° | 114.0° |
| C11 | C5 | C6 | 105.3° | 107.0° |
| C11 | C5 | C10 | 132.6° | 132.5° |
| C5 | C11 | H2 | 95.9° | 110.3° |
| C5 | C6 | C7 | 119.6° | 118.7° |
| C6 | C5 | C10 | 121.4° | 120.5° |
| C6 | C7 | C14 | 119.3° | 119.0° |
| C6 | C7 | C8 | 119.4° | 122.4° |
| C14 | C7 | C8 | 121.3° | 118.6° |
| C7 | C14 | H6 | 109.5° | 109.5° |
| C7 | C14 | H7 | 109.5° | 109.5° |
| C7 | C14 | H8 | 109.5° | 109.4° |
| C28 | C27 | O6 | 111.8° | 108.5° |
| C28 | C27 | C26 | 112.4° | 110.0° |
| C28 | C27 | H21 | 107.0° | 109.0° |
| C27 | C28 | H22 | 118.2° | 120.4° |
| C37 | O6 | C27 | 120.3° | 114.0° |
| O6 | C37 | H42 | 109.5° | 109.4° |
| O6 | C37 | H43 | 109.5° | 109.5° |
| O6 | C37 | H44 | 109.5° | 109.5° |
| C5 | C10 | C4 | 120.9° | 121.5° |
| C5 | C10 | C9 | 118.9° | 120.3° |
| C7 | C8 | C9 | 120.5° | 119.8° |
| C7 | C8 | O2 | 119.9° | 119.4° |
| O6 | C27 | C26 | 109.2° | 108.9° |
| O6 | C27 | H21 | 109.1° | 108.5° |
| C27 | C26 | C34 | 106.6° | 109.1° |
| C27 | C26 | C25 | 116.4° | 112.6° |
| C27 | C26 | H20 | 108.3° | 109.0° |
| C26 | C27 | H21 | 107.1° | 111.8° |
| O12 | C4 | C10 | 121.6° | 120.4° |
| O12 | C4 | C3 | 119.0° | 119.3° |
| C4 | O12 | H51 | 109.5° | 114.0° |
| C4 | C10 | C9 | 120.2° | 118.3° |
| C10 | C4 | C3 | 119.3° | 120.3° |
| C10 | C9 | C8 | 120.1° | 117.9° |
| C10 | C9 | C1 | 119.7° | 119.7° |
| C9 | C8 | O2 | 119.6° | 120.8° |
| C8 | C9 | C1 | 120.2° | 122.4° |
| C8 | O2 | H47 | 109.5° | 114.0° |
| C34 | C26 | C25 | 108.4° | 109.0° |
| C34 | C26 | H20 | 108.8° | 108.0° |
| C26 | C34 | H36 | 109.5° | 109.4° |
| C26 | C34 | H37 | 109.5° | 109.5° |
| C26 | C34 | H38 | 109.5° | 109.5° |
| C26 | C25 | O7 | 110.8° | 111.7° |
| C26 | C25 | C24 | 114.2° | 109.2° |
| C26 | C25 | H19 | 106.6° | 108.8° |
| C25 | C26 | H20 | 108.1° | 109.0° |
| C4 | C3 | C2 | 119.9° | 121.3° |
| C4 | C3 | H1 | 120.1° | 119.3° |
| C9 | C1 | C2 | 119.9° | 120.1° |
| C9 | C1 | O1 | 119.3° | 120.4° |
| C36 | C35 | O8 | 118.6° | 120.0° |
| C36 | C35 | O7 | 118.9° | 120.0° |
| C35 | C36 | H39 | 109.5° | 109.5° |
| C35 | C36 | H40 | 109.5° | 109.5° |
| C35 | C36 | H41 | 109.5° | 109.5° |
| O8 | C35 | O7 | 119.5° | 119.9° |
| C35 | O7 | C25 | 120.8° | 117.0° |
| O7 | C25 | C24 | 109.6° | 109.1° |
| O7 | C25 | H19 | 108.9° | 109.1° |
| C25 | C24 | C33 | 105.9° | 107.3° |
| C25 | C24 | C23 | 116.0° | 109.8° |
| C25 | C24 | H18 | 108.2° | 106.7° |
| C24 | C25 | H19 | 106.5° | 108.8° |
| C3 | C2 | C1 | 121.0° | 119.2° |
| C3 | C2 | N1 | 117.3° | 112.9° |
| C2 | C3 | H1 | 120.0° | 119.4° |
| C2 | C1 | O1 | 120.9° | 119.5° |
| C1 | C2 | N1 | 121.7° | 127.9° |
| C1 | O1 | H46 | 109.5° | 114.0° |
| C2 | N1 | C15 | 122.9° | 112.5° |
| C2 | N1 | H45 | 118.5° | 123.6° |
| C33 | C24 | C23 | 109.5° | 110.4° |
| C33 | C24 | H18 | 108.9° | 110.4° |
| C24 | C33 | H33 | 109.5° | 109.5° |
| C24 | C33 | H34 | 109.5° | 109.5° |
| C24 | C33 | H35 | 109.5° | 109.5° |
| C24 | C23 | O9 | 110.2° | 109.7° |
| C24 | C23 | C22 | 116.8° | 115.0° |
| C24 | C23 | H17 | 105.9° | 108.4° |
| C23 | C24 | H18 | 108.2° | 112.0° |
| O9 | C23 | C22 | 109.6° | 108.4° |
| O9 | C23 | H17 | 108.0° | 106.8° |
| C23 | O9 | H49 | 109.5° | 114.0° |
| C23 | C22 | C21 | 113.0° | 110.1° |
| C23 | C22 | C32 | 110.3° | 112.9° |
| C23 | C22 | H16 | 107.1° | 106.9° |
| C22 | C23 | H17 | 105.9° | 108.2° |
| N1 | C15 | O11 | 120.4° | 111.8° |
| N1 | C15 | C16 | 119.0° | 133.2° |
| C15 | N1 | H45 | 118.6° | 124.0° |
| O11 | C15 | C16 | 120.6° | 115.0° |
| C15 | C16 | C30 | 112.0° | 120.7° |
| C15 | C16 | C17 | 115.9° | 121.9° |
| C21 | C22 | C32 | 111.3° | 111.7° |
| C22 | C21 | O10 | 110.0° | 110.3° |
| C22 | C21 | C20 | 114.9° | 112.5° |
| C22 | C21 | H15 | 106.6° | 108.2° |
| C21 | C22 | H16 | 107.1° | 107.5° |
| C32 | C22 | H16 | 107.6° | 107.4° |
| C22 | C32 | H30 | 109.5° | 109.4° |
| C22 | C32 | H31 | 109.4° | 109.4° |
| C22 | C32 | H32 | 109.5° | 109.5° |
| O10 | C21 | C20 | 109.7° | 109.4° |
| O10 | C21 | H15 | 108.7° | 107.9° |
| C21 | O10 | H50 | 109.5° | 114.0° |
| C21 | C20 | C19 | 111.7° | 109.7° |
| C21 | C20 | C31 | 114.5° | 109.9° |
| C21 | C20 | H14 | 107.8° | 111.4° |
| C20 | C21 | H15 | 106.7° | 108.4° |
| C30 | C16 | C17 | 107.8° | 117.4° |
| C16 | C30 | H24 | 109.5° | 109.5° |
| C16 | C30 | H25 | 109.4° | 109.4° |
| C16 | C30 | H26 | 109.5° | 109.5° |
| C16 | C17 | C18 | 119.7° | 123.2° |
| C16 | C17 | H10 | 120.1° | 118.0° |
| C19 | C20 | C31 | 106.3° | 108.5° |
| C20 | C19 | C18 | 120.8° | 119.8° |
| C20 | C19 | H13 | 119.6° | 120.0° |
| C19 | C20 | H14 | 108.1° | 107.8° |
| C31 | C20 | H14 | 108.3° | 109.5° |
| C20 | C31 | H27 | 109.5° | 109.5° |
| C20 | C31 | H28 | 109.5° | 109.5° |
| C20 | C31 | H29 | 109.5° | 109.4° |
| C19 | C18 | C17 | 119.9° | 120.8° |
| C19 | C18 | H12 | 120.0° | 117.8° |
| C18 | C19 | H13 | 119.6° | 120.3° |
| C18 | C17 | H10 | 120.1° | 118.6° |
| C17 | C18 | H12 | 120.0° | 121.3° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H3 | C13 | H5 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.4° | 109.5° |
| H24 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.4° |
| H27 | C31 | H29 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H30 | C32 | H32 | 109.4° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H33 | C33 | H35 | 109.5° | 109.4° |
| H34 | C33 | H35 | 109.4° | 109.5° |
| H36 | C34 | H37 | 109.5° | 109.5° |
| H36 | C34 | H38 | 109.4° | 109.5° |
| H37 | C34 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.4° |
| H39 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.4° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | O5 | O3 | 123.1° | 122.7° |
| C13 | C12 | O5 | C11 | 122.8° | 122.8° |
| C13 | C12 | O5 | C29 | 169.7° | 60.0° |
| C13 | C12 | O3 | C11 | 115.9° | 117.5° |
| C13 | C12 | O3 | C6 | 124.1° | 127.7° |
| C13 | C12 | C11 | O4 | 74.5° | 113.4° |
| C13 | C12 | C11 | C5 | 125.7° | 128.0° |
| C13 | C12 | C11 | H2 | 26.9° | 9.6° |
| C12 | C13 | H3 | H4 | 120.0° | 120.1° |
| C12 | C13 | H3 | H5 | 120.0° | 120.1° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| O5 | C12 | O3 | C11 | 116.7° | 118.8° |
| O5 | C12 | O3 | C6 | 108.6° | 108.7° |
| C12 | O5 | C29 | C28 | 83.4° | 152.2° |
| O5 | C12 | C11 | O4 | 51.1° | 10.2° |
| O5 | C12 | C11 | C5 | 108.8° | 108.4° |
| O5 | C12 | C11 | H2 | 152.5° | 133.2° |
| O5 | C12 | C13 | H3 | 180.0° | 178.1° |
| O5 | C12 | C13 | H4 | 60.0° | 58.1° |
| O5 | C12 | C13 | H5 | 60.0° | 61.9° |
| C12 | O5 | C29 | H23 | 96.6° | 26.8° |
| C29 | O5 | C12 | O3 | 46.6° | 177.3° |
| C29 | O5 | C12 | C11 | 67.5° | 62.8° |
| O5 | C29 | C28 | H23 | 180.0° | 179.1° |
| O5 | C29 | C28 | C27 | 172.9° | 178.9° |
| O5 | C29 | C28 | H22 | 7.1° | 1.4° |
| O3 | C12 | C11 | O4 | 172.1° | 129.3° |
| O3 | C12 | C11 | C5 | 12.3° | 10.7° |
| C12 | O3 | C6 | C5 | 0.9° | 5.4° |
| C12 | O3 | C6 | C7 | 177.9° | 173.7° |
| O3 | C12 | C11 | H2 | 86.4° | 107.7° |
| O3 | C12 | C13 | H3 | 52.9° | 58.5° |
| O3 | C12 | C13 | H4 | 172.9° | 178.6° |
| O3 | C12 | C13 | H5 | 67.1° | 61.5° |
| C11 | C12 | O3 | C6 | 8.2° | 10.2° |
| C12 | C11 | O4 | C5 | 157.5° | 114.8° |
| C12 | C11 | O4 | H2 | 101.4° | 123.1° |
| C12 | C11 | C5 | H2 | 98.9° | 118.7° |
| C12 | C11 | C5 | C6 | 12.2° | 8.1° |
| C12 | C11 | C5 | C10 | 177.8° | 171.4° |
| C11 | C12 | C13 | H3 | 58.4° | 55.0° |
| C11 | C12 | C13 | H4 | 61.6° | 65.0° |
| C11 | C12 | C13 | H5 | 178.4° | 175.0° |
| C12 | C11 | O4 | H48 | 180.0° | 61.0° |
| O3 | C6 | C5 | C11 | 6.4° | 2.1° |
| O3 | C6 | C5 | C7 | 179.0° | 179.2° |
| O3 | C6 | C7 | C14 | 0.3° | 3.9° |
| O3 | C6 | C5 | C10 | 177.8° | 177.4° |
| O3 | C6 | C7 | C8 | 179.8° | 176.3° |
| C29 | C28 | C27 | H22 | 180.0° | 179.7° |
| C29 | C28 | C27 | O6 | 20.8° | 81.0° |
| C29 | C28 | C27 | C26 | 144.1° | 159.9° |
| C29 | C28 | C27 | H21 | 98.6° | 37.0° |
| O4 | C11 | C5 | H2 | 101.2° | 122.1° |
| O4 | C11 | C5 | C6 | 172.0° | 127.3° |
| O4 | C11 | C5 | C10 | 17.9° | 52.1° |
| C11 | C5 | C6 | C10 | 171.4° | 179.5° |
| C11 | C5 | C6 | C7 | 174.6° | 178.7° |
| C11 | C5 | C10 | C4 | 10.0° | 3.6° |
| C11 | C5 | C10 | C9 | 172.1° | 176.2° |
| C5 | C11 | O4 | H48 | 22.5° | 53.8° |
| C5 | C6 | C7 | C14 | 178.5° | 177.0° |
| C5 | C6 | C7 | C8 | 1.5° | 2.7° |
| C6 | C5 | C10 | C4 | 178.8° | 177.0° |
| C6 | C5 | C10 | C9 | 3.4° | 3.1° |
| C6 | C5 | C11 | H2 | 86.8° | 110.6° |
| C6 | C7 | C14 | C8 | 180.0° | 179.8° |
| C7 | C6 | C5 | C10 | 3.2° | 1.8° |
| C6 | C7 | C8 | C9 | 0.0° | 1.4° |
| C6 | C7 | C8 | O2 | 179.9° | 178.2° |
| C6 | C7 | C14 | H6 | 90.0° | 90.0° |
| C6 | C7 | C14 | H7 | 150.0° | 150.0° |
| C6 | C7 | C14 | H8 | 30.0° | 30.0° |
| C14 | C7 | C8 | C9 | 180.0° | 178.8° |
| C14 | C7 | C8 | O2 | 0.1° | 1.6° |
| C7 | C14 | H6 | H7 | 120.0° | 120.0° |
| C7 | C14 | H6 | H8 | 120.0° | 120.0° |
| C7 | C14 | H7 | H8 | 120.0° | 119.9° |
| C28 | C27 | O6 | C37 | 120.8° | 90.3° |
| C28 | C27 | O6 | C26 | 125.1° | 119.8° |
| C28 | C27 | O6 | H21 | 118.2° | 118.3° |
| C28 | C27 | C26 | H21 | 117.2° | 121.2° |
| C28 | C27 | C26 | C34 | 70.2° | 126.4° |
| C28 | C27 | C26 | C25 | 168.6° | 112.4° |
| C28 | C27 | C26 | H20 | 46.7° | 8.7° |
| C27 | C28 | C29 | H23 | 7.1° | 0.2° |
| C37 | O6 | C27 | C26 | 114.2° | 149.9° |
| C37 | O6 | C27 | H21 | 2.6° | 28.0° |
| O6 | C37 | H42 | H43 | 120.0° | 120.0° |
| O6 | C37 | H42 | H44 | 120.0° | 120.0° |
| O6 | C37 | H43 | H44 | 120.0° | 120.0° |
| C5 | C10 | C4 | O12 | 2.0° | 11.2° |
| C5 | C10 | C4 | C9 | 177.8° | 179.9° |
| C5 | C10 | C9 | C8 | 1.9° | 7.1° |
| C5 | C10 | C4 | C3 | 178.5° | 170.0° |
| C5 | C10 | C9 | C1 | 178.3° | 171.8° |
| C10 | C5 | C11 | H2 | 83.3° | 70.0° |
| C7 | C8 | C9 | C10 | 0.3° | 6.2° |
| C7 | C8 | C9 | O2 | 179.8° | 179.6° |
| C7 | C8 | C9 | C1 | 180.0° | 172.7° |
| C8 | C7 | C14 | H6 | 90.0° | 90.2° |
| C8 | C7 | C14 | H7 | 30.0° | 29.8° |
| C8 | C7 | C14 | H8 | 150.0° | 149.8° |
| C7 | C8 | O2 | H47 | 180.0° | 90.0° |
| O6 | C27 | C26 | H21 | 118.1° | 119.9° |
| O6 | C27 | C26 | C34 | 54.5° | 7.6° |
| O6 | C27 | C26 | C25 | 66.7° | 128.8° |
| O6 | C27 | C26 | H20 | 171.4° | 110.2° |
| O6 | C27 | C28 | H22 | 159.2° | 98.7° |
| C27 | O6 | C37 | H42 | 180.0° | 60.0° |
| C27 | O6 | C37 | H43 | 60.0° | 60.0° |
| C27 | O6 | C37 | H44 | 60.0° | 180.0° |
| C27 | C26 | C34 | C25 | 126.1° | 123.3° |
| C27 | C26 | C34 | H20 | 116.6° | 118.4° |
| C27 | C26 | C25 | H20 | 122.1° | 121.1° |
| C27 | C26 | C25 | O7 | 54.7° | 13.2° |
| C27 | C26 | C25 | C24 | 179.1° | 107.6° |
| C27 | C26 | C25 | H19 | 63.6° | 133.8° |
| C26 | C27 | C28 | H22 | 35.9° | 20.4° |
| C27 | C26 | C34 | H36 | 180.0° | 176.7° |
| C27 | C26 | C34 | H37 | 60.0° | 56.7° |
| C27 | C26 | C34 | H38 | 60.0° | 63.3° |
| O12 | C4 | C10 | C3 | 179.5° | 178.8° |
| O12 | C4 | C10 | C9 | 179.8° | 168.9° |
| O12 | C4 | C3 | C2 | 179.9° | 176.8° |
| O12 | C4 | C3 | H1 | 0.1° | 5.5° |
| C4 | C10 | C9 | C8 | 179.8° | 173.0° |
| C4 | C10 | C9 | C1 | 0.5° | 8.1° |
| C10 | C4 | C3 | C2 | 0.6° | 2.0° |
| C10 | C4 | C3 | H1 | 179.5° | 175.7° |
| C10 | C4 | O12 | H51 | 180.0° | 96.8° |
| C10 | C9 | C8 | C1 | 179.7° | 178.9° |
| C10 | C9 | C8 | O2 | 179.8° | 173.4° |
| C9 | C10 | C4 | C3 | 0.7° | 9.9° |
| C10 | C9 | C1 | C2 | 0.2° | 1.8° |
| C10 | C9 | C1 | O1 | 179.9° | 179.1° |
| C8 | C9 | C1 | C2 | 179.9° | 177.1° |
| C8 | C9 | C1 | O1 | 0.1° | 0.2° |
| C9 | C8 | O2 | H47 | 0.1° | 90.5° |
| O2 | C8 | C9 | C1 | 0.1° | 7.7° |
| C34 | C26 | C25 | H20 | 117.8° | 117.7° |
| C34 | C26 | C25 | O7 | 174.8° | 108.0° |
| C34 | C26 | C25 | C24 | 60.8° | 131.2° |
| C34 | C26 | C25 | H19 | 56.6° | 12.6° |
| C34 | C26 | C27 | H21 | 172.5° | 112.3° |
| C26 | C34 | H36 | H37 | 120.0° | 120.0° |
| C26 | C34 | H36 | H38 | 120.0° | 120.0° |
| C26 | C34 | H37 | H38 | 120.0° | 120.0° |
| C26 | C25 | O7 | C35 | 123.7° | 89.2° |
| C26 | C25 | O7 | C24 | 127.0° | 120.8° |
| C26 | C25 | O7 | H19 | 116.8° | 120.4° |
| C26 | C25 | C24 | H19 | 117.4° | 118.6° |
| C26 | C25 | C24 | C33 | 64.9° | 73.4° |
| C26 | C25 | C24 | C23 | 173.4° | 166.5° |
| C26 | C25 | C24 | H18 | 51.7° | 45.0° |
| C25 | C26 | C27 | H21 | 51.4° | 8.8° |
| C25 | C26 | C34 | H36 | 53.9° | 60.0° |
| C25 | C26 | C34 | H37 | 173.9° | 180.0° |
| C25 | C26 | C34 | H38 | 66.1° | 60.0° |
| C4 | C3 | C2 | H1 | 180.0° | 177.7° |
| C4 | C3 | C2 | C1 | 0.3° | 8.0° |
| C4 | C3 | C2 | N1 | 179.8° | 173.5° |
| C3 | C4 | O12 | H51 | 0.5° | 84.4° |
| C9 | C1 | C2 | C3 | 0.1° | 9.7° |
| C9 | C1 | C2 | O1 | 179.9° | 177.4° |
| C9 | C1 | C2 | N1 | 179.5° | 172.1° |
| C9 | C1 | O1 | H46 | 140.4° | 92.6° |
| C36 | C35 | O8 | O7 | 160.1° | 179.9° |
| C36 | C35 | O7 | C25 | 160.5° | 180.0° |
| C35 | C36 | H39 | H40 | 120.0° | 120.0° |
| C35 | C36 | H39 | H41 | 120.0° | 120.1° |
| C35 | C36 | H40 | H41 | 120.0° | 120.0° |
| O8 | C35 | O7 | C25 | 0.5° | 0.0° |
| O8 | C35 | C36 | H39 | 0.0° | 0.1° |
| O8 | C35 | C36 | H40 | 120.0° | 120.1° |
| O8 | C35 | C36 | H41 | 120.0° | 120.0° |
| C35 | O7 | C25 | C24 | 109.3° | 150.0° |
| C35 | O7 | C25 | H19 | 6.8° | 31.2° |
| O7 | C35 | C36 | H39 | 160.2° | 180.0° |
| O7 | C35 | C36 | H40 | 79.8° | 60.0° |
| O7 | C35 | C36 | H41 | 40.2° | 59.9° |
| O7 | C25 | C24 | H19 | 117.6° | 119.0° |
| O7 | C25 | C24 | C33 | 60.1° | 49.0° |
| O7 | C25 | C24 | C23 | 61.6° | 71.1° |
| O7 | C25 | C24 | H18 | 176.7° | 167.4° |
| O7 | C25 | C26 | H20 | 67.4° | 134.3° |
| C25 | C24 | C33 | C23 | 125.8° | 119.7° |
| C25 | C24 | C33 | H18 | 116.1° | 115.9° |
| C25 | C24 | C23 | H18 | 121.7° | 118.3° |
| C25 | C24 | C23 | O9 | 57.7° | 43.3° |
| C25 | C24 | C23 | C22 | 176.3° | 165.8° |
| C25 | C24 | C23 | H17 | 58.9° | 73.0° |
| C24 | C25 | C26 | H20 | 57.0° | 13.5° |
| C25 | C24 | C33 | H33 | 180.0° | 59.8° |
| C25 | C24 | C33 | H34 | 60.0° | 60.3° |
| C25 | C24 | C33 | H35 | 60.0° | 179.7° |
| C3 | C2 | C1 | N1 | 179.5° | 178.2° |
| C3 | C2 | C1 | O1 | 180.0° | 172.9° |
| C3 | C2 | N1 | C15 | 134.1° | 39.4° |
| C3 | C2 | N1 | H45 | 45.9° | 141.2° |
| C1 | C2 | N1 | C15 | 46.4° | 142.3° |
| C1 | C2 | C3 | H1 | 179.7° | 174.2° |
| C1 | C2 | N1 | H45 | 133.6° | 37.1° |
| C2 | C1 | O1 | H46 | 39.5° | 90.1° |
| O1 | C1 | C2 | N1 | 0.5° | 5.3° |
| C2 | N1 | C15 | H45 | 180.0° | 179.3° |
| C2 | N1 | C15 | O11 | 0.6° | 34.2° |
| C2 | N1 | C15 | C16 | 179.6° | 146.5° |
| N1 | C2 | C3 | H1 | 0.3° | 4.2° |
| C33 | C24 | C23 | H18 | 118.5° | 123.5° |
| C33 | C24 | C23 | O9 | 177.5° | 161.5° |
| C33 | C24 | C23 | C22 | 56.6° | 76.0° |
| C33 | C24 | C23 | H17 | 60.9° | 45.2° |
| C33 | C24 | C25 | H19 | 177.8° | 168.0° |
| C24 | C33 | H33 | H34 | 120.0° | 120.1° |
| C24 | C33 | H33 | H35 | 120.0° | 120.0° |
| C24 | C33 | H34 | H35 | 120.0° | 120.0° |
| C24 | C23 | O9 | C22 | 129.9° | 126.4° |
| C24 | C23 | O9 | H17 | 115.2° | 117.3° |
| C24 | C23 | C22 | H17 | 117.5° | 121.4° |
| C24 | C23 | C22 | C21 | 52.8° | 113.9° |
| C24 | C23 | C22 | C32 | 178.2° | 11.7° |
| C24 | C23 | C22 | H16 | 65.0° | 129.6° |
| C23 | C24 | C25 | H19 | 56.1° | 47.9° |
| C23 | C24 | C33 | H33 | 54.2° | 60.0° |
| C23 | C24 | C33 | H34 | 65.8° | 180.0° |
| C23 | C24 | C33 | H35 | 174.2° | 60.0° |
| C24 | C23 | O9 | H49 | 180.0° | 173.7° |
| O9 | C23 | C22 | H17 | 116.3° | 115.4° |
| O9 | C23 | C22 | C21 | 73.4° | 122.9° |
| O9 | C23 | C22 | C32 | 51.9° | 111.5° |
| O9 | C23 | C22 | H16 | 168.8° | 6.4° |
| O9 | C23 | C24 | H18 | 64.0° | 75.0° |
| C23 | C22 | C21 | C32 | 124.8° | 126.3° |
| C23 | C22 | C21 | H16 | 117.8° | 116.1° |
| C23 | C22 | C32 | H16 | 116.6° | 117.6° |
| C23 | C22 | C21 | O10 | 65.2° | 54.5° |
| C23 | C22 | C21 | C20 | 170.4° | 176.9° |
| C23 | C22 | C21 | H15 | 52.5° | 63.4° |
| C22 | C23 | C24 | H18 | 62.0° | 47.4° |
| C23 | C22 | C32 | H30 | 180.0° | 64.7° |
| C23 | C22 | C32 | H31 | 60.0° | 55.3° |
| C23 | C22 | C32 | H32 | 60.0° | 175.2° |
| C22 | C23 | O9 | H49 | 50.1° | 60.0° |
| N1 | C15 | O11 | C16 | 179.8° | 179.4° |
| N1 | C15 | C16 | C30 | 74.3° | 0.5° |
| N1 | C15 | C16 | C17 | 161.5° | 179.9° |
| O11 | C15 | C16 | C30 | 105.5° | 179.8° |
| O11 | C15 | C16 | C17 | 18.8° | 0.7° |
| O11 | C15 | N1 | H45 | 179.4° | 145.1° |
| C15 | C16 | C30 | C17 | 128.6° | 179.5° |
| C15 | C16 | C17 | C18 | 39.8° | 10.6° |
| C15 | C16 | C17 | H10 | 140.2° | 172.9° |
| C15 | C16 | C30 | H24 | 180.0° | 90.0° |
| C15 | C16 | C30 | H25 | 60.0° | 150.0° |
| C15 | C16 | C30 | H26 | 60.0° | 30.0° |
| C16 | C15 | N1 | H45 | 0.4° | 34.1° |
| C21 | C22 | C32 | H16 | 117.1° | 117.6° |
| C22 | C21 | O10 | C20 | 127.4° | 124.2° |
| C22 | C21 | O10 | H15 | 116.3° | 118.0° |
| C22 | C21 | C20 | H15 | 117.8° | 119.6° |
| C22 | C21 | C20 | C19 | 159.9° | 170.6° |
| C22 | C21 | C20 | C31 | 39.0° | 70.2° |
| C22 | C21 | C20 | H14 | 81.6° | 51.3° |
| C21 | C22 | C23 | H17 | 170.3° | 7.5° |
| C21 | C22 | C32 | H30 | 53.7° | 60.0° |
| C21 | C22 | C32 | H31 | 66.4° | 180.0° |
| C21 | C22 | C32 | H32 | 173.6° | 60.0° |
| C22 | C21 | O10 | H50 | 180.0° | 175.8° |
| C32 | C22 | C21 | O10 | 59.7° | 71.9° |
| C32 | C22 | C21 | C20 | 64.8° | 50.6° |
| C32 | C22 | C21 | H15 | 177.3° | 170.3° |
| C32 | C22 | C23 | H17 | 64.4° | 133.1° |
| C22 | C32 | H30 | H31 | 120.0° | 119.9° |
| C22 | C32 | H30 | H32 | 120.0° | 120.0° |
| C22 | C32 | H31 | H32 | 120.0° | 120.0° |
| O10 | C21 | C20 | H15 | 117.6° | 117.5° |
| O10 | C21 | C20 | C19 | 75.6° | 47.7° |
| O10 | C21 | C20 | C31 | 163.5° | 166.8° |
| O10 | C21 | C20 | H14 | 43.0° | 71.6° |
| O10 | C21 | C22 | H16 | 177.0° | 170.6° |
| C21 | C20 | C19 | C31 | 125.5° | 120.0° |
| C21 | C20 | C19 | H14 | 118.4° | 121.4° |
| C21 | C20 | C31 | H14 | 120.3° | 122.6° |
| C21 | C20 | C19 | C18 | 61.7° | 101.1° |
| C21 | C20 | C19 | H13 | 118.2° | 79.5° |
| C20 | C21 | C22 | H16 | 52.6° | 67.0° |
| C21 | C20 | C31 | H27 | 180.0° | 180.0° |
| C21 | C20 | C31 | H28 | 60.0° | 60.1° |
| C21 | C20 | C31 | H29 | 60.0° | 60.0° |
| C20 | C21 | O10 | H50 | 52.6° | 60.0° |
| C30 | C16 | C17 | C18 | 166.2° | 169.9° |
| C30 | C16 | C17 | H10 | 13.8° | 6.6° |
| C16 | C30 | H24 | H25 | 120.0° | 120.0° |
| C16 | C30 | H24 | H26 | 120.0° | 120.0° |
| C16 | C30 | H25 | H26 | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 67.8° | 163.1° |
| C16 | C17 | C18 | H10 | 180.0° | 176.5° |
| C16 | C17 | C18 | H12 | 112.3° | 18.5° |
| C17 | C16 | C30 | H24 | 51.4° | 90.4° |
| C17 | C16 | C30 | H25 | 171.4° | 29.6° |
| C17 | C16 | C30 | H26 | 68.6° | 149.6° |
| C19 | C20 | C31 | H14 | 115.9° | 117.4° |
| C20 | C19 | C18 | H13 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 176.4° | 178.1° |
| C20 | C19 | C18 | H12 | 3.6° | 0.3° |
| C19 | C20 | C21 | H15 | 42.0° | 69.8° |
| C19 | C20 | C31 | H27 | 56.2° | 60.0° |
| C19 | C20 | C31 | H28 | 176.2° | 180.0° |
| C19 | C20 | C31 | H29 | 63.8° | 60.0° |
| C31 | C20 | C19 | C18 | 172.7° | 138.9° |
| C31 | C20 | C19 | H13 | 7.3° | 40.5° |
| C31 | C20 | C21 | H15 | 78.9° | 49.4° |
| C20 | C31 | H27 | H28 | 120.0° | 120.0° |
| C20 | C31 | H27 | H29 | 120.0° | 120.0° |
| C20 | C31 | H28 | H29 | 120.0° | 120.0° |
| C19 | C18 | C17 | H12 | 180.0° | 178.4° |
| C19 | C18 | C17 | H10 | 112.3° | 20.4° |
| C18 | C19 | C20 | H14 | 56.6° | 20.4° |
| C17 | C18 | C19 | H13 | 3.6° | 1.3° |
| H2 | C11 | O4 | H48 | 78.6° | 175.8° |
| H3 | C13 | H4 | H5 | 120.0° | 119.9° |
| H6 | C14 | H7 | H8 | 120.0° | 120.1° |
| H10 | C17 | C18 | H12 | 67.7° | 158.0° |
| H12 | C18 | C19 | H13 | 176.4° | 179.7° |
| H13 | C19 | C20 | H14 | 123.4° | 159.0° |
| H14 | C20 | C21 | H15 | 160.6° | 170.9° |
| H14 | C20 | C31 | H27 | 59.8° | 57.4° |
| H14 | C20 | C31 | H28 | 60.3° | 62.6° |
| H14 | C20 | C31 | H29 | 179.8° | 177.4° |
| H15 | C21 | C22 | H16 | 65.3° | 52.7° |
| H15 | C21 | O10 | H50 | 63.7° | 57.8° |
| H16 | C22 | C23 | H17 | 52.5° | 109.0° |
| H16 | C22 | C32 | H30 | 63.4° | 177.7° |
| H16 | C22 | C32 | H31 | 176.5° | 62.4° |
| H16 | C22 | C32 | H32 | 56.5° | 57.6° |
| H17 | C23 | C24 | H18 | 179.4° | 168.7° |
| H17 | C23 | O9 | H49 | 64.8° | 56.4° |
| H18 | C24 | C25 | H19 | 65.6° | 73.7° |
| H18 | C24 | C33 | H33 | 63.9° | 175.7° |
| H18 | C24 | C33 | H34 | 176.1° | 55.6° |
| H18 | C24 | C33 | H35 | 56.1° | 64.4° |
| H19 | C25 | C26 | H20 | 174.4° | 105.1° |
| H20 | C26 | C27 | H21 | 70.5° | 129.9° |
| H20 | C26 | C34 | H36 | 63.4° | 58.3° |
| H20 | C26 | C34 | H37 | 56.6° | 61.7° |
| H20 | C26 | C34 | H38 | 176.6° | 178.3° |
| H21 | C27 | C28 | H22 | 81.4° | 143.3° |
| H22 | C28 | C29 | H23 | 172.9° | 179.5° |
| H24 | C30 | H25 | H26 | 120.0° | 120.0° |
| H27 | C31 | H28 | H29 | 120.0° | 120.0° |
| H30 | C32 | H31 | H32 | 120.0° | 120.1° |
| H33 | C33 | H34 | H35 | 120.0° | 119.9° |
| H36 | C34 | H37 | H38 | 120.0° | 120.0° |
| H39 | C36 | H40 | H41 | 120.0° | 120.0° |
| H42 | C37 | H43 | H44 | 120.0° | 120.0° |
