3YI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C35 | doub | 1.21Å | 1.25Å | |
| O9 | C23 | sing | 1.43Å | 1.43Å | |
| C37 | O6 | sing | 1.43Å | 1.41Å | |
| C32 | C22 | sing | 1.53Å | 1.56Å | |
| O10 | C21 | sing | 1.43Å | 1.42Å | |
| O6 | C27 | sing | 1.43Å | 1.44Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | O7 | sing | 1.34Å | 1.35Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C25 | O7 | sing | 1.45Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| O2 | C8 | sing | 1.36Å | 1.36Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C20 | C31 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.33Å | 1.34Å | |
| C24 | C33 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C14 | C7 | sing | 1.51Å | 1.51Å | |
| O1 | C1 | sing | 1.36Å | 1.40Å | |
| C34 | C26 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.46Å | 1.44Å | |
| C8 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.36Å | |
| C28 | C29 | doub | 1.32Å | 1.50Å | |
| C7 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C30 | sing | 1.50Å | 1.50Å | |
| C16 | C15 | sing | 1.43Å | 1.48Å | |
| N1 | C2 | sing | 1.40Å | 1.43Å | |
| N1 | C15 | sing | 1.33Å | 1.33Å | |
| C9 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.43Å | 1.40Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.36Å | |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | O11 | doub | 1.22Å | 1.20Å | |
| O3 | C12 | sing | 1.43Å | 1.49Å | |
| C29 | O5 | sing | 1.36Å | 1.43Å | |
| C10 | C5 | sing | 1.47Å | 1.45Å | Aromatic |
| C10 | C4 | doub | 1.40Å | 1.45Å | Aromatic |
| C5 | C11 | sing | 1.42Å | 1.43Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C38 | sing | 1.46Å | 1.46Å | |
| O5 | C12 | sing | 1.43Å | 1.52Å | |
| C4 | O12 | sing | 1.36Å | 1.36Å | |
| C12 | C11 | sing | 1.52Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O13 | C38 | doub | 1.21Å | 1.25Å | |
| C11 | O4 | doub | 1.21Å | 1.21Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| O9 | H4 | sing | 0.97Å | 0.95Å | |
| O10 | H5 | sing | 0.97Å | 0.95Å | |
| O12 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.07Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C35 | C36 | 125.7° | 120.0° |
| O8 | C35 | O7 | 122.1° | 120.0° |
| O9 | C23 | C22 | 109.6° | 109.5° |
| O9 | C23 | C24 | 110.2° | 109.5° |
| C23 | O9 | H4 | 109.5° | 114.0° |
| O9 | C23 | H19 | 108.0° | 109.5° |
| C37 | O6 | C27 | 113.0° | 114.0° |
| O6 | C37 | H46 | 109.5° | 109.5° |
| O6 | C37 | H47 | 109.5° | 109.5° |
| O6 | C37 | H48 | 109.5° | 109.4° |
| C32 | C22 | C23 | 110.3° | 109.4° |
| C32 | C22 | C21 | 111.5° | 109.4° |
| C32 | C22 | H18 | 106.4° | 109.5° |
| C22 | C32 | H34 | 109.5° | 109.5° |
| C22 | C32 | H35 | 109.5° | 109.5° |
| C22 | C32 | H36 | 109.5° | 109.5° |
| O10 | C21 | C22 | 109.0° | 109.5° |
| O10 | C21 | C20 | 111.1° | 109.4° |
| C21 | O10 | H5 | 109.5° | 114.0° |
| O10 | C21 | H17 | 108.3° | 109.5° |
| O6 | C27 | C26 | 106.3° | 109.6° |
| O6 | C27 | C28 | 111.6° | 109.5° |
| O6 | C27 | H23 | 109.5° | 109.6° |
| C36 | C35 | O7 | 112.3° | 120.0° |
| C35 | C36 | H43 | 109.5° | 109.4° |
| C35 | C36 | H44 | 109.5° | 109.5° |
| C35 | C36 | H45 | 109.5° | 109.4° |
| C35 | O7 | C25 | 117.8° | 117.0° |
| C22 | C23 | C24 | 115.4° | 109.5° |
| C23 | C22 | C21 | 115.1° | 109.5° |
| C23 | C22 | H18 | 106.6° | 109.5° |
| C22 | C23 | H19 | 106.7° | 109.5° |
| C23 | C24 | C25 | 111.4° | 109.4° |
| C23 | C24 | C33 | 109.2° | 109.5° |
| C24 | C23 | H19 | 106.6° | 109.4° |
| C23 | C24 | H20 | 108.3° | 109.5° |
| C22 | C21 | C20 | 114.8° | 109.6° |
| C22 | C21 | H17 | 106.7° | 109.5° |
| C21 | C22 | H18 | 106.3° | 109.5° |
| C21 | C20 | C19 | 112.1° | 109.8° |
| C21 | C20 | C31 | 110.0° | 109.4° |
| C21 | C20 | H16 | 108.1° | 109.4° |
| C20 | C21 | H17 | 106.7° | 109.5° |
| O7 | C25 | C24 | 108.3° | 109.5° |
| O7 | C25 | C26 | 105.1° | 109.4° |
| O7 | C25 | H21 | 110.5° | 109.5° |
| C24 | C25 | C26 | 114.5° | 109.4° |
| C25 | C24 | C33 | 111.3° | 109.5° |
| C25 | C24 | H20 | 108.3° | 109.5° |
| C24 | C25 | H21 | 109.1° | 109.5° |
| C25 | C26 | C27 | 113.3° | 109.5° |
| C25 | C26 | C34 | 108.8° | 109.4° |
| C26 | C25 | H21 | 109.2° | 109.5° |
| C25 | C26 | H22 | 108.1° | 109.5° |
| O2 | C8 | C7 | 116.1° | 119.5° |
| O2 | C8 | C9 | 122.1° | 119.5° |
| C8 | O2 | H3 | 109.5° | 114.1° |
| C19 | C20 | C31 | 110.0° | 109.4° |
| C20 | C19 | C18 | 128.0° | 119.9° |
| C20 | C19 | H15 | 116.0° | 120.0° |
| C19 | C20 | H16 | 108.2° | 109.4° |
| C31 | C20 | H16 | 108.4° | 109.4° |
| C20 | C31 | H31 | 109.5° | 109.4° |
| C20 | C31 | H32 | 109.5° | 109.5° |
| C20 | C31 | H33 | 109.5° | 109.4° |
| C19 | C18 | C17 | 120.6° | 120.7° |
| C19 | C18 | H14 | 119.7° | 119.4° |
| C18 | C19 | H15 | 116.0° | 120.1° |
| C33 | C24 | H20 | 108.3° | 109.5° |
| C24 | C33 | H37 | 109.5° | 109.4° |
| C24 | C33 | H38 | 109.4° | 109.5° |
| C24 | C33 | H39 | 109.5° | 109.5° |
| C26 | C27 | C28 | 113.0° | 109.1° |
| C27 | C26 | C34 | 110.3° | 109.5° |
| C27 | C26 | H22 | 107.8° | 109.5° |
| C26 | C27 | H23 | 108.0° | 109.5° |
| C27 | C28 | C29 | 112.8° | 120.4° |
| C28 | C27 | H23 | 108.4° | 109.6° |
| C27 | C28 | H24 | 123.6° | 119.5° |
| C14 | C7 | C8 | 121.7° | 118.8° |
| C14 | C7 | C6 | 120.0° | 118.8° |
| C7 | C14 | H10 | 109.5° | 109.5° |
| C7 | C14 | H11 | 109.5° | 109.5° |
| C7 | C14 | H12 | 109.5° | 109.5° |
| O1 | C1 | C9 | 118.9° | 120.1° |
| O1 | C1 | C2 | 118.0° | 120.1° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| C34 | C26 | H22 | 108.4° | 109.5° |
| C26 | C34 | H40 | 109.5° | 109.5° |
| C26 | C34 | H41 | 109.5° | 109.5° |
| C26 | C34 | H42 | 109.5° | 109.5° |
| C18 | C17 | C16 | 125.2° | 118.9° |
| C18 | C17 | H13 | 117.4° | 121.0° |
| C17 | C18 | H14 | 119.7° | 119.9° |
| C7 | C8 | C9 | 121.7° | 121.0° |
| C8 | C7 | C6 | 118.3° | 122.5° |
| C8 | C9 | C1 | 121.7° | 121.3° |
| C8 | C9 | C10 | 119.8° | 118.5° |
| C17 | C16 | C30 | 123.4° | 119.0° |
| C17 | C16 | C15 | 120.8° | 118.3° |
| C16 | C17 | H13 | 117.4° | 120.1° |
| C28 | C29 | O5 | 110.2° | 120.3° |
| C29 | C28 | H24 | 123.6° | 120.0° |
| C28 | C29 | H26 | 124.9° | 119.8° |
| C7 | C6 | O3 | 122.8° | 130.3° |
| C7 | C6 | C5 | 123.6° | 118.9° |
| C9 | C1 | C2 | 123.1° | 119.7° |
| C1 | C9 | C10 | 118.5° | 120.3° |
| C1 | C2 | N1 | 115.1° | 124.3° |
| C1 | C2 | C3 | 120.4° | 119.9° |
| C30 | C16 | C15 | 115.7° | 122.7° |
| C16 | C30 | H28 | 109.5° | 109.5° |
| C16 | C30 | H29 | 109.5° | 109.5° |
| C16 | C30 | H30 | 109.5° | 109.5° |
| C16 | C15 | N1 | 114.2° | 132.0° |
| C16 | C15 | O11 | 122.0° | 114.0° |
| C2 | N1 | C15 | 124.5° | 113.6° |
| N1 | C2 | C3 | 124.4° | 115.8° |
| C2 | N1 | H1 | 117.8° | 123.2° |
| N1 | C15 | O11 | 123.8° | 114.0° |
| C15 | N1 | H1 | 117.7° | 123.2° |
| C9 | C10 | C5 | 116.9° | 119.5° |
| C9 | C10 | C4 | 117.5° | 119.5° |
| C2 | C3 | C4 | 118.1° | 120.5° |
| C2 | C3 | C38 | 121.4° | 119.8° |
| O3 | C6 | C5 | 113.6° | 110.7° |
| C6 | O3 | C12 | 108.4° | 108.5° |
| C6 | C5 | C10 | 119.5° | 119.4° |
| C6 | C5 | C11 | 106.4° | 108.7° |
| O3 | C12 | O5 | 112.7° | 112.4° |
| O3 | C12 | C11 | 102.4° | 104.8° |
| O3 | C12 | C13 | 106.9° | 109.6° |
| C29 | O5 | C12 | 116.6° | 116.0° |
| O5 | C29 | H26 | 124.9° | 119.9° |
| C5 | C10 | C4 | 125.5° | 121.0° |
| C10 | C5 | C11 | 134.1° | 131.9° |
| C10 | C4 | C3 | 122.3° | 119.7° |
| C10 | C4 | O12 | 120.6° | 120.1° |
| C5 | C11 | C12 | 108.7° | 104.6° |
| C5 | C11 | O4 | 128.9° | 127.7° |
| C4 | C3 | C38 | 120.5° | 119.7° |
| C3 | C4 | O12 | 117.1° | 120.2° |
| C3 | C38 | O13 | 127.8° | 120.0° |
| C3 | C38 | H49 | 116.1° | 120.0° |
| O5 | C12 | C11 | 111.9° | 109.4° |
| O5 | C12 | C13 | 108.2° | 110.8° |
| C4 | O12 | H6 | 109.5° | 114.0° |
| C11 | C12 | C13 | 114.7° | 109.6° |
| C12 | C11 | O4 | 122.1° | 127.7° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.4° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| O13 | C38 | H49 | 116.1° | 120.0° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H28 | C30 | H29 | 109.4° | 109.5° |
| H28 | C30 | H30 | 109.5° | 109.4° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H33 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H36 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.4° | 109.4° |
| H37 | C33 | H38 | 109.5° | 109.4° |
| H37 | C33 | H39 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
| H40 | C34 | H41 | 109.5° | 109.4° |
| H40 | C34 | H42 | 109.5° | 109.4° |
| H41 | C34 | H42 | 109.5° | 109.5° |
| H43 | C36 | H44 | 109.4° | 109.5° |
| H43 | C36 | H45 | 109.5° | 109.5° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| H46 | C37 | H47 | 109.5° | 109.5° |
| H46 | C37 | H48 | 109.5° | 109.5° |
| H47 | C37 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C35 | C36 | O7 | 180.0° | 179.9° |
| O8 | C35 | O7 | C25 | 0.0° | 4.6° |
| O8 | C35 | C36 | H43 | 0.0° | 0.0° |
| O8 | C35 | C36 | H44 | 120.0° | 120.0° |
| O8 | C35 | C36 | H45 | 120.0° | 120.0° |
| O9 | C23 | C22 | C32 | 53.0° | 131.0° |
| O9 | C23 | C22 | C24 | 125.0° | 120.0° |
| O9 | C23 | C22 | H19 | 116.7° | 120.0° |
| O9 | C23 | C24 | H19 | 117.0° | 120.0° |
| O9 | C23 | C22 | C21 | 74.3° | 11.0° |
| O9 | C23 | C24 | C25 | 57.2° | 29.3° |
| O9 | C23 | C24 | C33 | 179.5° | 149.3° |
| O9 | C23 | C22 | H18 | 168.1° | 109.0° |
| O9 | C23 | C24 | H20 | 61.8° | 90.7° |
| C37 | O6 | C27 | C26 | 125.7° | 146.5° |
| C37 | O6 | C27 | C28 | 110.8° | 93.9° |
| C37 | O6 | C27 | H23 | 9.3° | 26.3° |
| O6 | C37 | H46 | H47 | 120.0° | 120.0° |
| O6 | C37 | H46 | H48 | 120.0° | 120.0° |
| O6 | C37 | H47 | H48 | 120.0° | 120.0° |
| C32 | C22 | C21 | O10 | 72.1° | 25.4° |
| C32 | C22 | C23 | C21 | 127.3° | 119.9° |
| C32 | C22 | C23 | H18 | 115.1° | 120.0° |
| C32 | C22 | C23 | C24 | 178.0° | 109.0° |
| C32 | C22 | C21 | H18 | 115.5° | 120.0° |
| C32 | C22 | C21 | C20 | 53.2° | 94.6° |
| C32 | C22 | C21 | H17 | 171.2° | 145.4° |
| C32 | C22 | C23 | H19 | 63.8° | 11.0° |
| C22 | C32 | H34 | H35 | 120.0° | 120.0° |
| C22 | C32 | H34 | H36 | 120.0° | 120.0° |
| C22 | C32 | H35 | H36 | 120.0° | 120.0° |
| O10 | C21 | C22 | C23 | 54.6° | 94.6° |
| O10 | C21 | C22 | C20 | 125.3° | 120.0° |
| O10 | C21 | C22 | H17 | 116.8° | 120.0° |
| O10 | C21 | C20 | H17 | 117.8° | 119.9° |
| O10 | C21 | C20 | C19 | 57.6° | 50.2° |
| O10 | C21 | C20 | C31 | 179.7° | 170.3° |
| O10 | C21 | C20 | H16 | 61.5° | 69.9° |
| O10 | C21 | C22 | H18 | 172.4° | 145.4° |
| O6 | C27 | C26 | C25 | 59.2° | 33.0° |
| O6 | C27 | C26 | C28 | 122.7° | 119.9° |
| O6 | C27 | C26 | H23 | 117.4° | 120.2° |
| O6 | C27 | C28 | H23 | 120.7° | 120.2° |
| O6 | C27 | C26 | C34 | 63.0° | 86.9° |
| O6 | C27 | C28 | C29 | 178.2° | 9.1° |
| O6 | C27 | C26 | H22 | 178.8° | 153.0° |
| O6 | C27 | C28 | H24 | 1.8° | 171.5° |
| C27 | O6 | C37 | H46 | 180.0° | 175.2° |
| C27 | O6 | C37 | H47 | 60.0° | 55.2° |
| C27 | O6 | C37 | H48 | 60.0° | 64.8° |
| C36 | C35 | O7 | C25 | 180.0° | 175.4° |
| C35 | C36 | H43 | H44 | 120.0° | 120.0° |
| C35 | C36 | H43 | H45 | 120.0° | 120.0° |
| C35 | C36 | H44 | H45 | 120.0° | 120.0° |
| C35 | O7 | C25 | C24 | 108.1° | 111.8° |
| C35 | O7 | C25 | C26 | 129.1° | 128.2° |
| C35 | O7 | C25 | H21 | 11.4° | 8.2° |
| O7 | C35 | C36 | H43 | 179.9° | 180.0° |
| O7 | C35 | C36 | H44 | 60.0° | 60.0° |
| O7 | C35 | C36 | H45 | 60.0° | 60.1° |
| C22 | C23 | C24 | H19 | 118.3° | 120.0° |
| C23 | C22 | C21 | H18 | 117.8° | 120.0° |
| C23 | C22 | C21 | C20 | 179.9° | 145.5° |
| C22 | C23 | C24 | C25 | 178.1° | 149.3° |
| C22 | C23 | C24 | C33 | 54.7° | 90.7° |
| C22 | C23 | O9 | H4 | 180.0° | 60.1° |
| C23 | C22 | C21 | H17 | 62.2° | 25.5° |
| C22 | C23 | C24 | H20 | 62.9° | 29.3° |
| C23 | C22 | C32 | H34 | 180.0° | 60.0° |
| C23 | C22 | C32 | H35 | 60.0° | 60.0° |
| C23 | C22 | C32 | H36 | 60.0° | 180.0° |
| C24 | C23 | C22 | C21 | 50.7° | 131.0° |
| C23 | C24 | C25 | O7 | 65.5° | 89.1° |
| C23 | C24 | C25 | C33 | 122.1° | 120.0° |
| C23 | C24 | C25 | H20 | 118.9° | 120.0° |
| C23 | C24 | C25 | C26 | 177.6° | 150.9° |
| C23 | C24 | C33 | H20 | 117.7° | 120.0° |
| C24 | C23 | O9 | H4 | 52.0° | 179.9° |
| C24 | C23 | C22 | H18 | 66.9° | 11.0° |
| C23 | C24 | C25 | H21 | 54.9° | 30.9° |
| C23 | C24 | C33 | H37 | 180.0° | 60.0° |
| C23 | C24 | C33 | H38 | 60.0° | 179.9° |
| C23 | C24 | C33 | H39 | 60.0° | 60.0° |
| C22 | C21 | C20 | H17 | 117.9° | 120.0° |
| C22 | C21 | C20 | C19 | 178.2° | 170.2° |
| C22 | C21 | C20 | C31 | 55.5° | 69.7° |
| C22 | C21 | O10 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | H16 | 62.7° | 50.1° |
| C21 | C22 | C23 | H19 | 169.0° | 109.0° |
| C21 | C22 | C32 | H34 | 50.7° | 59.9° |
| C21 | C22 | C32 | H35 | 69.3° | 180.0° |
| C21 | C22 | C32 | H36 | 170.7° | 60.1° |
| C21 | C20 | C19 | C31 | 122.7° | 120.1° |
| C21 | C20 | C19 | H16 | 119.1° | 120.1° |
| C21 | C20 | C31 | H16 | 118.0° | 119.8° |
| C21 | C20 | C19 | C18 | 48.2° | 143.5° |
| C20 | C21 | O10 | H5 | 52.6° | 60.0° |
| C21 | C20 | C19 | H15 | 131.7° | 36.4° |
| C20 | C21 | C22 | H18 | 62.3° | 25.4° |
| C21 | C20 | C31 | H31 | 180.0° | 165.2° |
| C21 | C20 | C31 | H32 | 60.0° | 74.8° |
| C21 | C20 | C31 | H33 | 60.0° | 45.2° |
| O7 | C25 | C24 | C26 | 116.9° | 119.9° |
| O7 | C25 | C24 | H21 | 120.3° | 120.0° |
| O7 | C25 | C26 | H21 | 118.6° | 120.0° |
| O7 | C25 | C24 | C33 | 56.7° | 30.9° |
| O7 | C25 | C26 | C27 | 58.6° | 76.6° |
| O7 | C25 | C26 | C34 | 178.4° | 163.4° |
| O7 | C25 | C24 | H20 | 175.6° | 150.9° |
| O7 | C25 | C26 | H22 | 60.8° | 43.4° |
| C24 | C25 | C26 | H21 | 122.7° | 120.0° |
| C25 | C24 | C33 | H20 | 118.9° | 120.0° |
| C24 | C25 | C26 | C27 | 177.3° | 163.4° |
| C24 | C25 | C26 | C34 | 59.6° | 43.4° |
| C25 | C24 | C23 | H19 | 59.8° | 90.7° |
| C24 | C25 | C26 | H22 | 57.9° | 76.6° |
| C25 | C24 | C33 | H37 | 56.6° | 60.0° |
| C25 | C24 | C33 | H38 | 176.6° | 60.0° |
| C25 | C24 | C33 | H39 | 63.4° | 180.0° |
| C26 | C25 | C24 | C33 | 60.2° | 89.1° |
| C25 | C26 | C27 | C34 | 122.2° | 120.0° |
| C25 | C26 | C27 | H22 | 119.6° | 120.0° |
| C25 | C26 | C27 | C28 | 178.1° | 152.9° |
| C25 | C26 | C34 | H22 | 117.4° | 120.0° |
| C26 | C25 | C24 | H20 | 58.7° | 31.0° |
| C25 | C26 | C27 | H23 | 58.2° | 87.2° |
| C25 | C26 | C34 | H40 | 180.0° | 74.2° |
| C25 | C26 | C34 | H41 | 60.0° | 165.8° |
| C25 | C26 | C34 | H42 | 60.0° | 45.8° |
| O2 | C8 | C7 | C14 | 0.1° | 0.6° |
| O2 | C8 | C7 | C9 | 178.6° | 179.9° |
| O2 | C8 | C7 | C6 | 179.6° | 179.4° |
| O2 | C8 | C9 | C1 | 1.6° | 1.8° |
| O2 | C8 | C9 | C10 | 179.6° | 178.6° |
| C19 | C20 | C31 | H16 | 118.1° | 119.9° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 176.2° | 179.8° |
| C20 | C19 | C18 | H14 | 3.8° | 1.1° |
| C19 | C20 | C21 | H17 | 60.3° | 69.7° |
| C19 | C20 | C31 | H31 | 56.1° | 44.9° |
| C19 | C20 | C31 | H32 | 176.1° | 164.9° |
| C19 | C20 | C31 | H33 | 63.9° | 75.1° |
| C31 | C20 | C19 | C18 | 74.4° | 23.4° |
| C31 | C20 | C19 | H15 | 105.6° | 156.5° |
| C31 | C20 | C21 | H17 | 62.4° | 50.4° |
| C20 | C31 | H31 | H32 | 120.0° | 120.0° |
| C20 | C31 | H31 | H33 | 120.0° | 119.9° |
| C20 | C31 | H32 | H33 | 120.0° | 120.0° |
| C19 | C18 | C17 | H14 | 180.0° | 178.7° |
| C19 | C18 | C17 | C16 | 179.0° | 169.7° |
| C19 | C18 | C17 | H13 | 1.0° | 9.0° |
| C18 | C19 | C20 | H16 | 167.3° | 96.4° |
| C33 | C24 | C23 | H19 | 63.5° | 29.3° |
| C33 | C24 | C25 | H21 | 177.0° | 150.9° |
| C24 | C33 | H37 | H38 | 120.0° | 120.0° |
| C24 | C33 | H37 | H39 | 120.0° | 120.0° |
| C24 | C33 | H38 | H39 | 120.0° | 120.0° |
| C26 | C27 | C28 | H23 | 119.6° | 119.9° |
| C27 | C26 | C34 | H22 | 117.8° | 120.0° |
| C26 | C27 | C28 | C29 | 62.1° | 129.0° |
| C27 | C26 | C25 | H21 | 60.0° | 43.4° |
| C26 | C27 | C28 | H24 | 117.9° | 51.6° |
| C27 | C26 | C34 | H40 | 55.2° | 165.8° |
| C27 | C26 | C34 | H41 | 64.8° | 45.8° |
| C27 | C26 | C34 | H42 | 175.2° | 74.2° |
| C28 | C27 | C26 | C34 | 59.7° | 32.9° |
| C27 | C28 | C29 | H24 | 180.0° | 179.4° |
| C27 | C28 | C29 | O5 | 178.9° | 178.7° |
| C28 | C27 | C26 | H22 | 58.5° | 87.1° |
| C27 | C28 | C29 | H26 | 1.1° | 1.4° |
| C14 | C7 | C8 | C6 | 179.7° | 180.0° |
| C14 | C7 | C8 | C9 | 178.7° | 179.3° |
| C14 | C7 | C6 | O3 | 1.5° | 0.3° |
| C14 | C7 | C6 | C5 | 178.8° | 178.8° |
| C7 | C14 | H10 | H11 | 120.0° | 120.0° |
| C7 | C14 | H10 | H12 | 120.0° | 120.0° |
| C7 | C14 | H11 | H12 | 120.0° | 120.0° |
| O1 | C1 | C9 | C8 | 0.5° | 0.7° |
| O1 | C1 | C9 | C2 | 178.7° | 179.7° |
| O1 | C1 | C2 | N1 | 2.1° | 3.8° |
| O1 | C1 | C9 | C10 | 179.3° | 179.0° |
| O1 | C1 | C2 | C3 | 179.6° | 175.9° |
| C34 | C26 | C25 | H21 | 63.1° | 76.6° |
| C34 | C26 | C27 | H23 | 179.6° | 152.9° |
| C26 | C34 | H40 | H41 | 120.0° | 120.0° |
| C26 | C34 | H40 | H42 | 120.0° | 120.0° |
| C26 | C34 | H41 | H42 | 120.0° | 120.0° |
| C18 | C17 | C16 | H13 | 180.0° | 178.7° |
| C18 | C17 | C16 | C30 | 178.4° | 176.6° |
| C18 | C17 | C16 | C15 | 3.2° | 1.6° |
| C17 | C18 | C19 | H15 | 3.8° | 0.1° |
| C7 | C8 | C9 | C1 | 176.9° | 178.3° |
| C7 | C8 | C9 | C10 | 1.9° | 1.4° |
| C8 | C7 | C6 | O3 | 178.2° | 179.7° |
| C8 | C7 | C6 | C5 | 1.4° | 1.2° |
| C7 | C8 | O2 | H3 | 180.0° | 90.0° |
| C8 | C7 | C14 | H10 | 90.2° | 90.0° |
| C8 | C7 | C14 | H11 | 149.8° | 29.9° |
| C8 | C7 | C14 | H12 | 29.9° | 150.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.7° |
| C8 | C9 | C1 | C10 | 178.9° | 179.7° |
| C8 | C9 | C1 | C2 | 178.2° | 179.0° |
| C8 | C9 | C10 | C5 | 0.4° | 5.2° |
| C8 | C9 | C10 | C4 | 179.3° | 174.4° |
| C9 | C8 | O2 | H3 | 1.5° | 89.9° |
| C17 | C16 | C30 | C15 | 178.4° | 178.1° |
| C17 | C16 | C15 | N1 | 37.9° | 143.6° |
| C17 | C16 | C15 | O11 | 141.0° | 36.4° |
| C16 | C17 | C18 | H14 | 1.0° | 9.0° |
| C17 | C16 | C30 | H28 | 180.0° | 88.1° |
| C17 | C16 | C30 | H29 | 60.0° | 31.9° |
| C17 | C16 | C30 | H30 | 60.0° | 151.9° |
| C28 | C29 | O5 | H26 | 180.0° | 179.9° |
| C28 | C29 | O5 | C12 | 80.0° | 80.9° |
| C29 | C28 | C27 | H23 | 57.6° | 111.1° |
| C7 | C6 | O3 | C5 | 179.7° | 179.1° |
| C7 | C6 | O3 | C12 | 176.1° | 165.7° |
| C7 | C6 | C5 | C10 | 2.9° | 5.0° |
| C7 | C6 | C5 | C11 | 178.7° | 175.1° |
| C6 | C7 | C14 | H10 | 90.1° | 90.0° |
| C6 | C7 | C14 | H11 | 29.9° | 150.0° |
| C6 | C7 | C14 | H12 | 149.8° | 30.0° |
| C9 | C1 | C2 | N1 | 176.6° | 176.5° |
| C9 | C1 | C2 | C3 | 0.9° | 3.8° |
| C1 | C9 | C10 | C5 | 178.5° | 174.5° |
| C1 | C9 | C10 | C4 | 0.4° | 6.0° |
| C9 | C1 | O1 | H2 | 180.0° | 90.0° |
| C1 | C2 | N1 | C3 | 177.4° | 179.8° |
| C1 | C2 | N1 | C15 | 120.5° | 160.7° |
| C2 | C1 | C9 | C10 | 0.7° | 1.4° |
| C1 | C2 | C3 | C4 | 0.1° | 4.4° |
| C1 | C2 | C3 | C38 | 179.4° | 175.6° |
| C1 | C2 | N1 | H1 | 59.5° | 19.2° |
| C2 | C1 | O1 | H2 | 1.3° | 89.7° |
| C30 | C16 | C15 | N1 | 140.6° | 34.6° |
| C30 | C16 | C15 | O11 | 40.5° | 145.4° |
| C30 | C16 | C17 | H13 | 1.6° | 2.2° |
| C16 | C30 | H28 | H29 | 120.0° | 120.0° |
| C16 | C30 | H28 | H30 | 120.0° | 120.0° |
| C16 | C30 | H29 | H30 | 120.0° | 120.0° |
| C16 | C15 | N1 | C2 | 176.9° | 119.4° |
| C16 | C15 | N1 | O11 | 178.9° | 180.0° |
| C16 | C15 | N1 | H1 | 3.1° | 60.7° |
| C15 | C16 | C17 | H13 | 176.8° | 179.6° |
| C15 | C16 | C30 | H28 | 1.6° | 90.0° |
| C15 | C16 | C30 | H29 | 118.4° | 150.0° |
| C15 | C16 | C30 | H30 | 121.6° | 29.9° |
| C2 | N1 | C15 | H1 | 180.0° | 179.9° |
| C2 | N1 | C15 | O11 | 2.0° | 60.6° |
| N1 | C2 | C3 | C4 | 177.2° | 175.8° |
| N1 | C2 | C3 | C38 | 2.1° | 4.2° |
| C15 | N1 | C2 | C3 | 62.1° | 19.6° |
| C9 | C10 | C5 | C6 | 1.9° | 7.1° |
| C9 | C10 | C5 | C4 | 178.8° | 179.5° |
| C9 | C10 | C5 | C11 | 179.7° | 173.1° |
| C9 | C10 | C4 | C3 | 1.2° | 5.3° |
| C9 | C10 | C4 | O12 | 179.7° | 174.7° |
| C2 | C3 | C4 | C10 | 1.0° | 0.2° |
| C2 | C3 | C4 | C38 | 179.3° | 180.0° |
| C2 | C3 | C4 | O12 | 179.5° | 179.8° |
| C2 | C3 | C38 | O13 | 100.3° | 165.7° |
| C3 | C2 | N1 | H1 | 117.8° | 160.6° |
| C2 | C3 | C38 | H49 | 79.7° | 14.3° |
| O3 | C6 | C5 | C10 | 176.7° | 175.7° |
| O3 | C6 | C5 | C11 | 1.6° | 4.2° |
| C6 | O3 | C12 | O5 | 113.4° | 135.4° |
| C6 | O3 | C12 | C11 | 6.9° | 16.6° |
| C6 | O3 | C12 | C13 | 127.8° | 101.0° |
| C5 | C6 | O3 | C12 | 3.6° | 13.5° |
| C6 | C5 | C10 | C11 | 177.8° | 179.9° |
| C6 | C5 | C10 | C4 | 176.9° | 172.5° |
| C6 | C5 | C11 | C12 | 6.1° | 6.2° |
| C6 | C5 | C11 | O4 | 179.3° | 173.9° |
| O11 | C15 | N1 | H1 | 178.0° | 119.3° |
| O3 | C12 | O5 | C29 | 72.0° | 144.3° |
| O3 | C12 | C11 | C5 | 7.9° | 13.7° |
| O3 | C12 | O5 | C11 | 114.7° | 116.0° |
| O3 | C12 | O5 | C13 | 118.0° | 123.0° |
| O3 | C12 | C11 | C13 | 115.4° | 117.5° |
| O3 | C12 | C11 | O4 | 178.4° | 166.4° |
| O3 | C12 | C13 | H7 | 180.0° | 58.6° |
| O3 | C12 | C13 | H8 | 60.0° | 178.5° |
| O3 | C12 | C13 | H9 | 60.0° | 61.4° |
| C29 | O5 | C12 | C11 | 42.7° | 28.2° |
| C29 | O5 | C12 | C13 | 170.0° | 92.8° |
| O5 | C29 | C28 | H24 | 1.1° | 1.9° |
| C5 | C10 | C4 | C3 | 177.5° | 175.2° |
| C5 | C10 | C4 | O12 | 0.9° | 4.8° |
| C10 | C5 | C11 | C12 | 171.9° | 174.0° |
| C10 | C5 | C11 | O4 | 1.3° | 6.0° |
| C4 | C10 | C5 | C11 | 0.9° | 7.4° |
| C10 | C4 | C3 | O12 | 178.5° | 180.0° |
| C10 | C4 | C3 | C38 | 178.3° | 179.8° |
| C10 | C4 | O12 | H6 | 0.2° | 90.1° |
| C5 | C11 | C12 | O5 | 113.0° | 134.5° |
| C5 | C11 | C12 | O4 | 173.8° | 179.9° |
| C5 | C11 | C12 | C13 | 123.3° | 103.9° |
| C4 | C3 | C38 | O13 | 79.0° | 14.3° |
| C3 | C4 | O12 | H6 | 178.7° | 90.0° |
| C4 | C3 | C38 | H49 | 101.0° | 165.7° |
| C38 | C3 | C4 | O12 | 0.2° | 0.2° |
| C3 | C38 | O13 | H49 | 180.0° | 179.9° |
| O5 | C12 | C11 | C13 | 123.7° | 121.7° |
| O5 | C12 | C11 | O4 | 60.7° | 45.6° |
| O5 | C12 | C13 | H7 | 58.4° | 176.8° |
| O5 | C12 | C13 | H8 | 61.6° | 56.9° |
| O5 | C12 | C13 | H9 | 178.4° | 63.2° |
| C12 | O5 | C29 | H26 | 100.0° | 99.2° |
| C11 | C12 | C13 | H7 | 67.2° | 55.9° |
| C11 | C12 | C13 | H8 | 172.8° | 64.0° |
| C11 | C12 | C13 | H9 | 52.8° | 176.0° |
| C13 | C12 | C11 | O4 | 63.0° | 76.0° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.1° |
| H4 | O9 | C23 | H19 | 64.1° | 59.9° |
| H5 | O10 | C21 | H17 | 64.3° | 59.9° |
| H7 | C13 | H8 | H9 | 120.0° | 119.9° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C17 | C18 | H14 | 179.0° | 172.3° |
| H14 | C18 | C19 | H15 | 176.2° | 178.8° |
| H15 | C19 | C20 | H16 | 12.7° | 83.7° |
| H16 | C20 | C21 | H17 | 179.4° | 170.2° |
| H16 | C20 | C31 | H31 | 62.0° | 75.0° |
| H16 | C20 | C31 | H32 | 58.0° | 45.0° |
| H16 | C20 | C31 | H33 | 178.0° | 165.0° |
| H17 | C21 | C22 | H18 | 55.6° | 94.6° |
| H18 | C22 | C23 | H19 | 51.3° | 131.0° |
| H18 | C22 | C32 | H34 | 64.8° | 180.0° |
| H18 | C22 | C32 | H35 | 175.2° | 60.0° |
| H18 | C22 | C32 | H36 | 55.2° | 59.9° |
| H19 | C23 | C24 | H20 | 178.8° | 149.3° |
| H20 | C24 | C25 | H21 | 64.1° | 89.1° |
| H20 | C24 | C33 | H37 | 62.3° | 180.0° |
| H20 | C24 | C33 | H38 | 57.7° | 60.1° |
| H20 | C24 | C33 | H39 | 177.6° | 60.0° |
| H21 | C25 | C26 | H22 | 179.4° | 163.4° |
| H22 | C26 | C27 | H23 | 61.4° | 32.8° |
| H22 | C26 | C34 | H40 | 62.6° | 45.8° |
| H22 | C26 | C34 | H41 | 177.3° | 74.2° |
| H22 | C26 | C34 | H42 | 57.4° | 165.8° |
| H23 | C27 | C28 | H24 | 122.4° | 68.3° |
| H24 | C28 | C29 | H26 | 178.9° | 178.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
| H31 | C31 | H32 | H33 | 120.0° | 120.0° |
| H34 | C32 | H35 | H36 | 120.0° | 119.9° |
| H37 | C33 | H38 | H39 | 120.0° | 120.0° |
| H40 | C34 | H41 | H42 | 120.0° | 119.9° |
| H43 | C36 | H44 | H45 | 120.0° | 120.0° |
| H46 | C37 | H47 | H48 | 120.0° | 120.0° |
