VA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C20 | sing | 1.52Å | 1.52Å | |
| C19 | C18 | doub | 1.33Å | 1.33Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.44Å | 1.44Å | |
| C20 | C21 | sing | 1.54Å | 1.54Å | |
| O11 | C15 | doub | 1.24Å | 1.24Å | |
| C17 | C16 | doub | 1.34Å | 1.34Å | |
| C33 | C24 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C21 | O10 | sing | 1.43Å | 1.43Å | |
| O12 | C4 | doub | 1.23Å | 1.23Å | |
| C15 | C16 | sing | 1.43Å | 1.43Å | |
| C15 | N1 | sing | 1.35Å | 1.35Å | |
| C22 | C32 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | sing | 1.54Å | 1.54Å | |
| C16 | C30 | sing | 1.50Å | 1.50Å | |
| C3 | C4 | sing | 1.45Å | 1.45Å | |
| C3 | C2 | doub | 1.35Å | 1.35Å | |
| O4 | C11 | doub | 1.22Å | 1.22Å | |
| C4 | C10 | sing | 1.49Å | 1.49Å | |
| C24 | C23 | sing | 1.54Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| N1 | C2 | sing | 1.40Å | 1.40Å | |
| C23 | O9 | sing | 1.42Å | 1.42Å | |
| C2 | C1 | sing | 1.50Å | 1.50Å | |
| C11 | C5 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.52Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C34 | sing | 1.52Å | 1.52Å | |
| C26 | C27 | sing | 1.55Å | 1.55Å | |
| C25 | O7 | sing | 1.45Å | 1.45Å | |
| O7 | C35 | sing | 1.35Å | 1.35Å | |
| C10 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | doub | 1.32Å | 1.32Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.50Å | 1.50Å | |
| C27 | O6 | sing | 1.45Å | 1.45Å | |
| O5 | C12 | sing | 1.41Å | 1.41Å | |
| O5 | C29 | sing | 1.39Å | 1.39Å | |
| C36 | C35 | sing | 1.49Å | 1.49Å | |
| C12 | O3 | sing | 1.47Å | 1.47Å | |
| C1 | C9 | sing | 1.47Å | 1.47Å | |
| C1 | O1 | doub | 1.26Å | 1.26Å | |
| C35 | O8 | doub | 1.20Å | 1.20Å | |
| C9 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | O3 | sing | 1.37Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C37 | sing | 1.42Å | 1.42Å | |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.35Å | |
| C7 | C14 | sing | 1.50Å | 1.50Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.10Å | 1.10Å | |
| C13 | H4 | sing | 1.10Å | 1.10Å | |
| C13 | H5 | sing | 1.10Å | 1.10Å | |
| C14 | H6 | sing | 1.10Å | 1.10Å | |
| C14 | H7 | sing | 1.10Å | 1.10Å | |
| C14 | H8 | sing | 1.10Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.10Å | 1.10Å | |
| C21 | H15 | sing | 1.10Å | 1.10Å | |
| C22 | H16 | sing | 1.10Å | 1.10Å | |
| C23 | H17 | sing | 1.10Å | 1.10Å | |
| C24 | H18 | sing | 1.10Å | 1.10Å | |
| C25 | H19 | sing | 1.10Å | 1.10Å | |
| C26 | H20 | sing | 1.10Å | 1.10Å | |
| C27 | H21 | sing | 1.10Å | 1.10Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.10Å | 1.10Å | |
| C30 | H25 | sing | 1.10Å | 1.10Å | |
| C30 | H26 | sing | 1.10Å | 1.10Å | |
| C31 | H27 | sing | 1.10Å | 1.10Å | |
| C31 | H28 | sing | 1.10Å | 1.10Å | |
| C31 | H29 | sing | 1.10Å | 1.10Å | |
| C32 | H30 | sing | 1.10Å | 1.10Å | |
| C32 | H31 | sing | 1.10Å | 1.10Å | |
| C32 | H32 | sing | 1.10Å | 1.10Å | |
| C33 | H33 | sing | 1.10Å | 1.10Å | |
| C33 | H34 | sing | 1.10Å | 1.10Å | |
| C33 | H35 | sing | 1.10Å | 1.10Å | |
| C34 | H36 | sing | 1.10Å | 1.10Å | |
| C34 | H37 | sing | 1.10Å | 1.10Å | |
| C34 | H38 | sing | 1.10Å | 1.10Å | |
| C36 | H39 | sing | 1.10Å | 1.10Å | |
| C36 | H40 | sing | 1.10Å | 1.10Å | |
| C36 | H41 | sing | 1.10Å | 1.10Å | |
| C37 | H42 | sing | 1.10Å | 1.10Å | |
| C37 | H43 | sing | 1.10Å | 1.10Å | |
| C37 | H44 | sing | 1.10Å | 1.10Å | |
| O2 | H45 | sing | 0.95Å | 0.95Å | |
| O9 | H46 | sing | 0.95Å | 0.95Å | |
| O10 | H47 | sing | 0.95Å | 0.95Å | |
| N1 | H2 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C20 | C19 | 107.7° | 107.7° |
| C31 | C20 | C21 | 111.2° | 111.2° |
| C31 | C20 | H14 | 108.3° | 108.3° |
| C20 | C31 | H27 | 109.5° | 109.5° |
| C20 | C31 | H28 | 109.5° | 109.5° |
| C20 | C31 | H29 | 109.5° | 109.5° |
| C18 | C19 | C20 | 131.2° | 131.2° |
| C19 | C18 | C17 | 125.4° | 125.4° |
| C19 | C18 | H10 | 117.3° | 117.3° |
| C18 | C19 | H12 | 114.4° | 114.4° |
| C19 | C20 | C21 | 113.0° | 113.0° |
| C20 | C19 | H12 | 114.4° | 114.4° |
| C19 | C20 | H14 | 108.5° | 108.5° |
| C18 | C17 | C16 | 128.9° | 128.9° |
| C18 | C17 | H9 | 115.5° | 115.5° |
| C17 | C18 | H10 | 117.3° | 117.3° |
| C20 | C21 | C22 | 115.4° | 115.4° |
| C20 | C21 | O10 | 109.2° | 109.2° |
| C21 | C20 | H14 | 108.1° | 108.1° |
| C20 | C21 | H15 | 107.1° | 107.1° |
| O11 | C15 | C16 | 119.9° | 119.9° |
| O11 | C15 | N1 | 124.3° | 124.3° |
| C17 | C16 | C15 | 122.2° | 122.2° |
| C17 | C16 | C30 | 123.2° | 123.2° |
| C16 | C17 | H9 | 115.6° | 115.6° |
| C33 | C24 | C23 | 111.1° | 111.1° |
| C33 | C24 | C25 | 110.5° | 110.5° |
| C33 | C24 | H18 | 108.3° | 108.3° |
| C24 | C33 | H33 | 109.5° | 109.5° |
| C24 | C33 | H34 | 109.5° | 109.5° |
| C24 | C33 | H35 | 109.5° | 109.5° |
| C22 | C21 | O10 | 109.3° | 109.3° |
| C21 | C22 | C32 | 110.9° | 110.9° |
| C21 | C22 | C23 | 112.3° | 112.3° |
| C22 | C21 | H15 | 107.1° | 107.1° |
| C21 | C22 | H16 | 107.7° | 107.6° |
| O10 | C21 | H15 | 108.5° | 108.5° |
| C21 | O10 | H47 | 109.5° | 109.5° |
| O12 | C4 | C3 | 119.1° | 119.1° |
| O12 | C4 | C10 | 121.0° | 121.0° |
| C16 | C15 | N1 | 115.8° | 115.8° |
| C15 | C16 | C30 | 114.4° | 114.4° |
| C15 | N1 | C2 | 126.3° | 126.3° |
| C15 | N1 | H2 | 116.9° | 116.9° |
| C32 | C22 | C23 | 110.4° | 110.4° |
| C32 | C22 | H16 | 107.7° | 107.7° |
| C22 | C32 | H30 | 109.5° | 109.5° |
| C22 | C32 | H31 | 109.5° | 109.5° |
| C22 | C32 | H32 | 109.4° | 109.4° |
| C22 | C23 | C24 | 115.7° | 115.7° |
| C22 | C23 | O9 | 109.1° | 109.1° |
| C23 | C22 | H16 | 107.6° | 107.7° |
| C22 | C23 | H17 | 107.2° | 107.2° |
| C16 | C30 | H24 | 109.5° | 109.5° |
| C16 | C30 | H25 | 109.5° | 109.5° |
| C16 | C30 | H26 | 109.4° | 109.5° |
| C4 | C3 | C2 | 121.0° | 121.0° |
| C3 | C4 | C10 | 119.9° | 119.9° |
| C4 | C3 | H1 | 119.5° | 119.5° |
| C3 | C2 | N1 | 124.7° | 124.7° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C2 | C3 | H1 | 119.5° | 119.5° |
| O4 | C11 | C5 | 130.2° | 130.2° |
| O4 | C11 | C12 | 122.7° | 122.7° |
| C4 | C10 | C5 | 122.7° | 122.7° |
| C4 | C10 | C9 | 119.1° | 119.1° |
| C23 | C24 | C25 | 110.2° | 110.2° |
| C24 | C23 | O9 | 108.7° | 108.7° |
| C24 | C23 | H17 | 107.2° | 107.2° |
| C23 | C24 | H18 | 108.2° | 108.2° |
| C24 | C25 | C26 | 116.5° | 116.5° |
| C24 | C25 | O7 | 108.1° | 108.1° |
| C25 | C24 | H18 | 108.3° | 108.3° |
| C24 | C25 | H19 | 107.8° | 107.8° |
| N1 | C2 | C1 | 115.3° | 115.3° |
| C2 | N1 | H2 | 116.8° | 116.8° |
| O9 | C23 | H17 | 108.7° | 108.7° |
| C23 | O9 | H46 | 109.5° | 109.5° |
| C2 | C1 | C9 | 118.6° | 118.6° |
| C2 | C1 | O1 | 119.5° | 119.5° |
| C5 | C11 | C12 | 107.0° | 107.0° |
| C11 | C5 | C10 | 134.1° | 134.1° |
| C11 | C5 | C6 | 105.6° | 105.6° |
| C11 | C12 | C13 | 112.7° | 112.7° |
| C11 | C12 | O5 | 111.4° | 111.4° |
| C11 | C12 | O3 | 104.5° | 104.5° |
| C25 | C26 | C34 | 110.1° | 110.1° |
| C25 | C26 | C27 | 113.9° | 113.9° |
| C26 | C25 | O7 | 107.7° | 107.7° |
| C26 | C25 | H19 | 107.8° | 107.8° |
| C25 | C26 | H20 | 106.5° | 106.5° |
| C34 | C26 | C27 | 112.9° | 112.9° |
| C34 | C26 | H20 | 106.6° | 106.6° |
| C26 | C34 | H36 | 109.5° | 109.5° |
| C26 | C34 | H37 | 109.5° | 109.4° |
| C26 | C34 | H38 | 109.4° | 109.4° |
| C26 | C27 | C28 | 118.5° | 118.5° |
| C26 | C27 | O6 | 112.7° | 112.7° |
| C27 | C26 | H20 | 106.4° | 106.4° |
| C26 | C27 | H21 | 103.8° | 103.8° |
| C25 | O7 | C35 | 118.7° | 118.7° |
| O7 | C25 | H19 | 108.8° | 108.8° |
| O7 | C35 | C36 | 111.2° | 111.2° |
| O7 | C35 | O8 | 123.2° | 123.2° |
| C5 | C10 | C9 | 118.2° | 118.2° |
| C10 | C5 | C6 | 120.3° | 120.3° |
| C10 | C9 | C1 | 119.6° | 119.6° |
| C10 | C9 | C8 | 120.2° | 120.2° |
| C27 | C28 | C29 | 123.5° | 123.5° |
| C28 | C27 | O6 | 111.2° | 111.2° |
| C28 | C27 | H21 | 104.2° | 104.2° |
| C27 | C28 | H22 | 118.2° | 118.2° |
| C28 | C29 | O5 | 128.9° | 128.9° |
| C29 | C28 | H22 | 118.2° | 118.2° |
| C28 | C29 | H23 | 115.6° | 115.6° |
| C5 | C6 | O3 | 115.0° | 115.0° |
| C5 | C6 | C7 | 122.5° | 122.5° |
| C13 | C12 | O5 | 108.2° | 108.2° |
| C13 | C12 | O3 | 110.0° | 110.0° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C27 | O6 | C37 | 112.2° | 112.2° |
| O6 | C27 | H21 | 104.8° | 104.8° |
| C12 | O5 | C29 | 114.4° | 114.4° |
| O5 | C12 | O3 | 110.1° | 110.1° |
| O5 | C29 | H23 | 115.6° | 115.6° |
| C36 | C35 | O8 | 125.7° | 125.7° |
| C35 | C36 | H39 | 109.5° | 109.5° |
| C35 | C36 | H40 | 109.4° | 109.5° |
| C35 | C36 | H41 | 109.5° | 109.5° |
| C12 | O3 | C6 | 107.2° | 107.2° |
| C9 | C1 | O1 | 121.8° | 121.8° |
| C1 | C9 | C8 | 120.2° | 120.2° |
| C9 | C8 | C7 | 121.6° | 121.6° |
| C9 | C8 | O2 | 120.0° | 120.0° |
| O3 | C6 | C7 | 122.5° | 122.5° |
| C6 | C7 | C8 | 117.2° | 117.2° |
| C6 | C7 | C14 | 120.8° | 120.8° |
| O6 | C37 | H42 | 109.5° | 109.5° |
| O6 | C37 | H43 | 109.5° | 109.5° |
| O6 | C37 | H44 | 109.5° | 109.5° |
| C7 | C8 | O2 | 118.3° | 118.3° |
| C8 | C7 | C14 | 122.0° | 122.0° |
| C8 | O2 | H45 | 109.5° | 109.5° |
| C7 | C14 | H6 | 109.5° | 109.5° |
| C7 | C14 | H7 | 109.5° | 109.5° |
| C7 | C14 | H8 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.4° | 109.4° |
| H24 | C30 | H26 | 109.5° | 109.4° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H27 | C31 | H29 | 109.4° | 109.4° |
| H28 | C31 | H29 | 109.4° | 109.4° |
| H30 | C32 | H31 | 109.4° | 109.4° |
| H30 | C32 | H32 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H33 | C33 | H35 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H36 | C34 | H37 | 109.4° | 109.4° |
| H36 | C34 | H38 | 109.5° | 109.5° |
| H37 | C34 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H39 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C20 | C19 | C18 | 175.4° | 175.4° |
| C31 | C20 | C19 | C21 | 123.2° | 123.2° |
| C31 | C20 | C19 | H14 | 117.0° | 117.0° |
| C31 | C20 | C21 | H14 | 118.7° | 118.7° |
| C31 | C20 | C21 | C22 | 44.4° | 44.4° |
| C31 | C20 | C21 | O10 | 168.0° | 168.0° |
| C31 | C20 | C19 | H12 | 4.6° | 4.6° |
| C31 | C20 | C21 | H15 | 74.7° | 74.7° |
| C20 | C31 | H27 | H28 | 120.0° | 120.0° |
| C20 | C31 | H27 | H29 | 120.0° | 120.0° |
| C20 | C31 | H28 | H29 | 120.0° | 120.0° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 61.4° | 61.4° |
| C19 | C18 | C17 | C16 | 141.3° | 141.3° |
| C19 | C18 | C17 | H9 | 38.7° | 38.7° |
| C18 | C19 | C20 | H14 | 58.4° | 58.4° |
| C20 | C19 | C18 | C17 | 18.2° | 18.2° |
| C19 | C20 | C21 | H14 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 165.7° | 165.7° |
| C19 | C20 | C21 | O10 | 70.8° | 70.8° |
| C20 | C19 | C18 | H10 | 161.8° | 161.8° |
| C19 | C20 | C21 | H15 | 46.6° | 46.6° |
| C19 | C20 | C31 | H27 | 180.0° | 180.0° |
| C19 | C20 | C31 | H28 | 60.0° | 60.0° |
| C19 | C20 | C31 | H29 | 60.0° | 60.0° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 5.1° | 5.1° |
| C18 | C17 | C16 | C30 | 179.4° | 179.4° |
| C17 | C18 | C19 | H12 | 161.7° | 161.7° |
| C20 | C21 | C22 | O10 | 123.5° | 123.5° |
| C20 | C21 | C22 | H15 | 119.1° | 119.1° |
| C20 | C21 | O10 | H15 | 116.4° | 116.4° |
| C20 | C21 | C22 | C32 | 62.0° | 62.0° |
| C20 | C21 | C22 | C23 | 173.8° | 173.8° |
| C21 | C20 | C19 | H12 | 118.6° | 118.6° |
| C20 | C21 | C22 | H16 | 55.5° | 55.5° |
| C21 | C20 | C31 | H27 | 55.7° | 55.7° |
| C21 | C20 | C31 | H28 | 64.4° | 64.4° |
| C21 | C20 | C31 | H29 | 175.7° | 175.7° |
| C20 | C21 | O10 | H47 | 180.0° | 180.0° |
| O11 | C15 | C16 | C17 | 35.4° | 35.4° |
| O11 | C15 | C16 | N1 | 177.8° | 177.8° |
| O11 | C15 | C16 | C30 | 148.7° | 148.7° |
| O11 | C15 | N1 | C2 | 34.2° | 34.2° |
| O11 | C15 | N1 | H2 | 145.8° | 145.8° |
| C17 | C16 | C15 | C30 | 175.9° | 175.9° |
| C17 | C16 | C15 | N1 | 142.5° | 142.5° |
| C16 | C17 | C18 | H10 | 38.7° | 38.7° |
| C17 | C16 | C30 | H24 | 180.0° | 180.0° |
| C17 | C16 | C30 | H25 | 60.0° | 60.0° |
| C17 | C16 | C30 | H26 | 60.0° | 60.0° |
| C33 | C24 | C23 | C22 | 61.8° | 61.8° |
| C33 | C24 | C23 | C25 | 122.9° | 122.9° |
| C33 | C24 | C23 | H18 | 118.9° | 118.9° |
| C33 | C24 | C25 | H18 | 118.5° | 118.5° |
| C33 | C24 | C23 | O9 | 175.0° | 175.0° |
| C33 | C24 | C25 | C26 | 81.6° | 81.6° |
| C33 | C24 | C25 | O7 | 39.7° | 39.7° |
| C33 | C24 | C23 | H17 | 57.7° | 57.7° |
| C33 | C24 | C25 | H19 | 157.2° | 157.2° |
| C24 | C33 | H33 | H34 | 120.0° | 120.0° |
| C24 | C33 | H33 | H35 | 120.0° | 120.0° |
| C24 | C33 | H34 | H35 | 120.0° | 120.0° |
| C22 | C21 | O10 | H15 | 116.5° | 116.5° |
| C21 | C22 | C32 | C23 | 125.2° | 125.2° |
| C21 | C22 | C32 | H16 | 117.6° | 117.5° |
| C21 | C22 | C23 | H16 | 118.3° | 118.3° |
| C21 | C22 | C23 | C24 | 49.9° | 49.9° |
| C21 | C22 | C23 | O9 | 73.0° | 73.0° |
| C22 | C21 | C20 | H14 | 74.3° | 74.3° |
| C21 | C22 | C23 | H17 | 169.4° | 169.4° |
| C21 | C22 | C32 | H30 | 180.0° | 180.0° |
| C21 | C22 | C32 | H31 | 60.0° | 60.0° |
| C21 | C22 | C32 | H32 | 60.0° | 60.0° |
| C22 | C21 | O10 | H47 | 52.9° | 52.9° |
| O10 | C21 | C22 | C32 | 61.5° | 61.5° |
| O10 | C21 | C22 | C23 | 62.6° | 62.6° |
| O10 | C21 | C20 | H14 | 49.3° | 49.3° |
| O10 | C21 | C22 | H16 | 179.1° | 179.1° |
| O12 | C4 | C3 | C10 | 179.1° | 179.1° |
| O12 | C4 | C3 | C2 | 177.9° | 177.9° |
| O12 | C4 | C10 | C5 | 6.7° | 6.7° |
| O12 | C4 | C10 | C9 | 173.7° | 173.7° |
| O12 | C4 | C3 | H1 | 2.1° | 2.1° |
| C16 | C15 | N1 | C2 | 143.5° | 143.5° |
| C15 | C16 | C17 | H9 | 174.9° | 174.9° |
| C15 | C16 | C30 | H24 | 4.2° | 4.2° |
| C15 | C16 | C30 | H25 | 115.8° | 115.8° |
| C15 | C16 | C30 | H26 | 124.2° | 124.2° |
| C16 | C15 | N1 | H2 | 36.4° | 36.4° |
| N1 | C15 | C16 | C30 | 33.4° | 33.4° |
| C15 | N1 | C2 | C3 | 6.1° | 6.1° |
| C15 | N1 | C2 | H2 | 180.0° | 180.0° |
| C15 | N1 | C2 | C1 | 172.5° | 172.5° |
| C32 | C22 | C23 | H16 | 117.3° | 117.3° |
| C32 | C22 | C23 | C24 | 174.3° | 174.3° |
| C32 | C22 | C23 | O9 | 51.4° | 51.4° |
| C32 | C22 | C21 | H15 | 178.9° | 178.9° |
| C32 | C22 | C23 | H17 | 66.2° | 66.2° |
| C22 | C32 | H30 | H31 | 120.0° | 120.0° |
| C22 | C32 | H30 | H32 | 120.0° | 120.0° |
| C22 | C32 | H31 | H32 | 120.0° | 120.0° |
| C22 | C23 | C24 | O9 | 123.1° | 123.1° |
| C22 | C23 | C24 | H17 | 119.5° | 119.5° |
| C22 | C23 | C24 | C25 | 175.3° | 175.3° |
| C22 | C23 | O9 | H17 | 116.6° | 116.6° |
| C23 | C22 | C21 | H15 | 54.7° | 54.7° |
| C22 | C23 | C24 | H18 | 57.0° | 57.0° |
| C23 | C22 | C32 | H30 | 54.9° | 54.9° |
| C23 | C22 | C32 | H31 | 174.8° | 174.8° |
| C23 | C22 | C32 | H32 | 65.2° | 65.2° |
| C22 | C23 | O9 | H46 | 180.0° | 180.0° |
| C30 | C16 | C17 | H9 | 0.6° | 0.6° |
| C16 | C30 | H24 | H25 | 120.0° | 120.0° |
| C16 | C30 | H24 | H26 | 120.0° | 120.0° |
| C16 | C30 | H25 | H26 | 120.0° | 120.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 170.1° | 170.1° |
| C4 | C3 | C2 | C1 | 8.3° | 8.3° |
| C3 | C4 | C10 | C5 | 172.3° | 172.3° |
| C3 | C4 | C10 | C9 | 7.3° | 7.3° |
| C2 | C3 | C4 | C10 | 3.0° | 3.0° |
| C3 | C2 | N1 | C1 | 178.5° | 178.5° |
| C3 | C2 | C1 | C9 | 15.5° | 15.5° |
| C3 | C2 | C1 | O1 | 168.0° | 168.0° |
| C3 | C2 | N1 | H2 | 173.9° | 173.9° |
| O4 | C11 | C5 | C12 | 177.2° | 177.2° |
| O4 | C11 | C5 | C10 | 2.5° | 2.5° |
| O4 | C11 | C5 | C6 | 178.3° | 178.3° |
| O4 | C11 | C12 | C13 | 55.5° | 55.5° |
| O4 | C11 | C12 | O5 | 66.4° | 66.4° |
| O4 | C11 | C12 | O3 | 174.9° | 174.9° |
| C4 | C10 | C5 | C11 | 0.2° | 0.2° |
| C4 | C10 | C5 | C9 | 179.6° | 179.6° |
| C4 | C10 | C5 | C6 | 179.4° | 179.4° |
| C4 | C10 | C9 | C1 | 0.1° | 0.1° |
| C4 | C10 | C9 | C8 | 179.8° | 179.8° |
| C10 | C4 | C3 | H1 | 177.0° | 177.0° |
| C23 | C24 | C25 | H18 | 118.2° | 118.2° |
| C24 | C23 | O9 | H17 | 116.4° | 116.4° |
| C23 | C24 | C25 | C26 | 155.1° | 155.1° |
| C23 | C24 | C25 | O7 | 83.6° | 83.6° |
| C24 | C23 | C22 | H16 | 68.4° | 68.4° |
| C23 | C24 | C25 | H19 | 33.9° | 33.9° |
| C23 | C24 | C33 | H33 | 180.0° | 180.0° |
| C23 | C24 | C33 | H34 | 60.0° | 60.0° |
| C23 | C24 | C33 | H35 | 60.0° | 60.0° |
| C24 | C23 | O9 | H46 | 53.0° | 53.0° |
| C25 | C24 | C23 | O9 | 52.2° | 52.2° |
| C24 | C25 | C26 | O7 | 121.5° | 121.5° |
| C24 | C25 | C26 | H19 | 121.2° | 121.2° |
| C24 | C25 | C26 | C34 | 75.7° | 75.7° |
| C24 | C25 | C26 | C27 | 156.4° | 156.4° |
| C24 | C25 | O7 | H19 | 116.8° | 116.8° |
| C24 | C25 | O7 | C35 | 101.8° | 101.8° |
| C25 | C24 | C23 | H17 | 65.2° | 65.2° |
| C24 | C25 | C26 | H20 | 39.5° | 39.5° |
| C25 | C24 | C33 | H33 | 57.3° | 57.3° |
| C25 | C24 | C33 | H34 | 177.3° | 177.3° |
| C25 | C24 | C33 | H35 | 62.7° | 62.7° |
| N1 | C2 | C1 | C9 | 163.1° | 163.1° |
| N1 | C2 | C1 | O1 | 13.4° | 13.4° |
| N1 | C2 | C3 | H1 | 9.9° | 9.9° |
| O9 | C23 | C22 | H16 | 168.7° | 168.7° |
| O9 | C23 | C24 | H18 | 66.1° | 66.1° |
| C2 | C1 | C9 | C10 | 11.1° | 11.1° |
| C2 | C1 | C9 | O1 | 176.4° | 176.4° |
| C2 | C1 | C9 | C8 | 168.9° | 168.9° |
| C1 | C2 | C3 | H1 | 171.6° | 171.6° |
| C1 | C2 | N1 | H2 | 7.5° | 7.5° |
| C11 | C5 | C10 | C6 | 179.2° | 179.2° |
| C11 | C5 | C10 | C9 | 179.4° | 179.4° |
| C5 | C11 | C12 | C13 | 127.1° | 127.1° |
| C5 | C11 | C12 | O5 | 111.1° | 111.1° |
| C5 | C11 | C12 | O3 | 7.7° | 7.7° |
| C11 | C5 | C6 | O3 | 0.7° | 0.7° |
| C11 | C5 | C6 | C7 | 180.0° | 180.0° |
| C12 | C11 | C5 | C10 | 174.8° | 174.8° |
| C12 | C11 | C5 | C6 | 4.5° | 4.5° |
| C11 | C12 | C13 | O5 | 123.6° | 123.6° |
| C11 | C12 | C13 | O3 | 116.2° | 116.2° |
| C11 | C12 | O5 | O3 | 115.4° | 115.4° |
| C11 | C12 | O5 | C29 | 53.7° | 53.7° |
| C11 | C12 | O3 | C6 | 8.0° | 8.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | H4 | 60.0° | 60.0° |
| C11 | C12 | C13 | H5 | 60.0° | 60.0° |
| C25 | C26 | C34 | C27 | 128.4° | 128.4° |
| C25 | C26 | C34 | H20 | 115.1° | 115.1° |
| C25 | C26 | C27 | H20 | 117.0° | 117.0° |
| C26 | C25 | O7 | H19 | 116.6° | 116.6° |
| C26 | C25 | O7 | C35 | 131.6° | 131.6° |
| C25 | C26 | C27 | C28 | 169.9° | 169.9° |
| C25 | C26 | C27 | O6 | 57.9° | 57.9° |
| C26 | C25 | C24 | H18 | 36.9° | 36.9° |
| C25 | C26 | C27 | H21 | 55.0° | 55.0° |
| C25 | C26 | C34 | H36 | 180.0° | 180.0° |
| C25 | C26 | C34 | H37 | 60.0° | 60.0° |
| C25 | C26 | C34 | H38 | 60.0° | 60.0° |
| C34 | C26 | C27 | H20 | 116.6° | 116.6° |
| C34 | C26 | C25 | O7 | 162.7° | 162.7° |
| C34 | C26 | C27 | C28 | 63.7° | 63.7° |
| C34 | C26 | C27 | O6 | 68.6° | 68.6° |
| C34 | C26 | C25 | H19 | 45.4° | 45.4° |
| C34 | C26 | C27 | H21 | 178.6° | 178.6° |
| C26 | C34 | H36 | H37 | 120.0° | 120.0° |
| C26 | C34 | H36 | H38 | 120.0° | 120.0° |
| C26 | C34 | H37 | H38 | 120.0° | 120.0° |
| C27 | C26 | C25 | O7 | 34.9° | 34.9° |
| C26 | C27 | C28 | O6 | 132.9° | 132.9° |
| C26 | C27 | C28 | H21 | 114.7° | 114.7° |
| C26 | C27 | C28 | C29 | 71.5° | 71.5° |
| C26 | C27 | O6 | H21 | 112.3° | 112.3° |
| C26 | C27 | O6 | C37 | 147.5° | 147.5° |
| C27 | C26 | C25 | H19 | 82.4° | 82.4° |
| C26 | C27 | C28 | H22 | 108.5° | 108.5° |
| C27 | C26 | C34 | H36 | 51.6° | 51.6° |
| C27 | C26 | C34 | H37 | 68.4° | 68.4° |
| C27 | C26 | C34 | H38 | 171.6° | 171.6° |
| C25 | O7 | C35 | C36 | 179.6° | 179.6° |
| C25 | O7 | C35 | O8 | 1.1° | 1.1° |
| O7 | C25 | C24 | H18 | 158.2° | 158.2° |
| O7 | C25 | C26 | H20 | 82.0° | 82.0° |
| O7 | C35 | C36 | O8 | 179.2° | 179.2° |
| C35 | O7 | C25 | H19 | 15.0° | 15.0° |
| O7 | C35 | C36 | H39 | 179.3° | 179.3° |
| O7 | C35 | C36 | H40 | 59.2° | 59.2° |
| O7 | C35 | C36 | H41 | 60.8° | 60.8° |
| C5 | C10 | C9 | C1 | 179.7° | 179.7° |
| C5 | C10 | C9 | C8 | 0.2° | 0.2° |
| C10 | C5 | C6 | O3 | 179.9° | 179.9° |
| C10 | C5 | C6 | C7 | 0.6° | 0.6° |
| C9 | C10 | C5 | C6 | 0.2° | 0.2° |
| C10 | C9 | C1 | C8 | 179.9° | 179.9° |
| C10 | C9 | C1 | O1 | 172.5° | 172.5° |
| C10 | C9 | C8 | C7 | 0.3° | 0.3° |
| C10 | C9 | C8 | O2 | 179.9° | 179.9° |
| C27 | C28 | C29 | H22 | 180.0° | 180.0° |
| C28 | C27 | O6 | H21 | 112.0° | 112.0° |
| C27 | C28 | C29 | O5 | 178.1° | 178.1° |
| C28 | C27 | O6 | C37 | 76.7° | 76.7° |
| C28 | C27 | C26 | H20 | 52.9° | 52.9° |
| C27 | C28 | C29 | H23 | 1.9° | 1.9° |
| C29 | C28 | C27 | O6 | 61.4° | 61.4° |
| C28 | C29 | O5 | C12 | 150.4° | 150.4° |
| C28 | C29 | O5 | H23 | 180.0° | 180.0° |
| C29 | C28 | C27 | H21 | 173.8° | 173.8° |
| C5 | C6 | O3 | C12 | 5.8° | 5.8° |
| C5 | C6 | O3 | C7 | 179.3° | 179.3° |
| C5 | C6 | C7 | C8 | 0.5° | 0.5° |
| C5 | C6 | C7 | C14 | 179.7° | 179.7° |
| C13 | C12 | O5 | O3 | 120.2° | 120.2° |
| C13 | C12 | O5 | C29 | 178.0° | 178.0° |
| C13 | C12 | O3 | C6 | 129.2° | 129.2° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| O6 | C27 | C26 | H20 | 174.8° | 174.8° |
| O6 | C27 | C28 | H22 | 118.6° | 118.6° |
| C27 | O6 | C37 | H42 | 180.0° | 180.0° |
| C27 | O6 | C37 | H43 | 60.0° | 60.0° |
| C27 | O6 | C37 | H44 | 60.0° | 60.0° |
| O5 | C12 | O3 | C6 | 111.7° | 111.7° |
| O5 | C12 | C13 | H3 | 56.4° | 56.5° |
| O5 | C12 | C13 | H4 | 176.4° | 176.4° |
| O5 | C12 | C13 | H5 | 63.6° | 63.6° |
| C12 | O5 | C29 | H23 | 29.6° | 29.6° |
| C29 | O5 | C12 | O3 | 61.7° | 61.7° |
| O5 | C29 | C28 | H22 | 1.9° | 1.9° |
| C35 | C36 | H39 | H40 | 120.0° | 120.0° |
| C35 | C36 | H39 | H41 | 120.0° | 120.0° |
| C35 | C36 | H40 | H41 | 120.0° | 120.0° |
| C12 | O3 | C6 | C7 | 174.9° | 174.9° |
| O3 | C12 | C13 | H3 | 63.8° | 63.8° |
| O3 | C12 | C13 | H4 | 56.2° | 56.2° |
| O3 | C12 | C13 | H5 | 176.2° | 176.2° |
| C1 | C9 | C8 | C7 | 179.6° | 179.6° |
| C1 | C9 | C8 | O2 | 0.2° | 0.2° |
| O1 | C1 | C9 | C8 | 7.5° | 7.5° |
| O8 | C35 | C36 | H39 | 0.0° | 0.0° |
| O8 | C35 | C36 | H40 | 120.0° | 120.0° |
| O8 | C35 | C36 | H41 | 120.0° | 120.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C9 | C8 | C7 | O2 | 179.8° | 179.8° |
| C9 | C8 | C7 | C14 | 179.9° | 179.9° |
| C9 | C8 | O2 | H45 | 3.0° | 3.0° |
| O3 | C6 | C7 | C8 | 179.8° | 179.8° |
| O3 | C6 | C7 | C14 | 0.4° | 0.4° |
| C6 | C7 | C8 | C14 | 179.8° | 179.8° |
| C6 | C7 | C8 | O2 | 179.8° | 179.8° |
| C6 | C7 | C14 | H6 | 89.9° | 89.9° |
| C6 | C7 | C14 | H7 | 150.1° | 150.1° |
| C6 | C7 | C14 | H8 | 30.1° | 30.1° |
| C37 | O6 | C27 | H21 | 35.3° | 35.3° |
| O6 | C37 | H42 | H43 | 120.0° | 120.0° |
| O6 | C37 | H42 | H44 | 120.0° | 120.0° |
| O6 | C37 | H43 | H44 | 120.0° | 120.0° |
| C8 | C7 | C14 | H6 | 89.9° | 89.9° |
| C8 | C7 | C14 | H7 | 30.1° | 30.1° |
| C8 | C7 | C14 | H8 | 150.1° | 150.1° |
| C7 | C8 | O2 | H45 | 177.2° | 177.2° |
| O2 | C8 | C7 | C14 | 0.1° | 0.1° |
| C7 | C14 | H6 | H7 | 120.0° | 120.0° |
| C7 | C14 | H6 | H8 | 120.0° | 120.0° |
| C7 | C14 | H7 | H8 | 120.0° | 120.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C17 | C18 | H10 | 141.3° | 141.3° |
| H10 | C18 | C19 | H12 | 18.3° | 18.3° |
| H12 | C19 | C20 | H14 | 121.6° | 121.6° |
| H14 | C20 | C21 | H15 | 166.6° | 166.6° |
| H14 | C20 | C31 | H27 | 62.9° | 62.9° |
| H14 | C20 | C31 | H28 | 177.1° | 177.1° |
| H14 | C20 | C31 | H29 | 57.1° | 57.1° |
| H15 | C21 | C22 | H16 | 63.6° | 63.6° |
| H15 | C21 | O10 | H47 | 63.5° | 63.5° |
| H16 | C22 | C23 | H17 | 51.1° | 51.1° |
| H16 | C22 | C32 | H30 | 62.4° | 62.4° |
| H16 | C22 | C32 | H31 | 57.6° | 57.5° |
| H16 | C22 | C32 | H32 | 177.6° | 177.5° |
| H17 | C23 | C24 | H18 | 176.5° | 176.5° |
| H17 | C23 | O9 | H46 | 63.4° | 63.4° |
| H18 | C24 | C25 | H19 | 84.3° | 84.3° |
| H18 | C24 | C33 | H33 | 61.2° | 61.2° |
| H18 | C24 | C33 | H34 | 58.8° | 58.8° |
| H18 | C24 | C33 | H35 | 178.8° | 178.8° |
| H19 | C25 | C26 | H20 | 160.7° | 160.7° |
| H20 | C26 | C27 | H21 | 62.0° | 62.0° |
| H20 | C26 | C34 | H36 | 64.9° | 64.9° |
| H20 | C26 | C34 | H37 | 175.1° | 175.2° |
| H20 | C26 | C34 | H38 | 55.2° | 55.2° |
| H21 | C27 | C28 | H22 | 6.2° | 6.2° |
| H22 | C28 | C29 | H23 | 178.1° | 178.1° |
| H24 | C30 | H25 | H26 | 120.0° | 119.9° |
| H27 | C31 | H28 | H29 | 120.0° | 120.0° |
| H30 | C32 | H31 | H32 | 120.0° | 120.0° |
| H33 | C33 | H34 | H35 | 120.0° | 120.0° |
| H36 | C34 | H37 | H38 | 120.0° | 120.0° |
| H39 | C36 | H40 | H41 | 120.0° | 120.0° |
| H42 | C37 | H43 | H44 | 120.0° | 120.0° |
