3K5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | O1 | sing | 1.43Å | 1.44Å | |
| O2 | C6 | doub | 1.22Å | 1.21Å | |
| C16 | O3 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.52Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O | sing | 1.43Å | 1.44Å | |
| C6 | O1 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.46Å | 1.46Å | |
| O3 | C15 | sing | 1.42Å | 1.60Å | |
| C15 | C3 | sing | 1.53Å | 1.49Å | |
| C15 | C17 | sing | 1.55Å | 1.53Å | |
| C3 | O | sing | 1.43Å | 1.41Å | |
| C3 | O4 | sing | 1.44Å | 1.43Å | |
| C7 | C8 | doub | 1.35Å | 1.33Å | |
| O4 | C22 | sing | 1.43Å | 1.46Å | |
| C17 | C22 | sing | 1.54Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C37 | C36 | sing | 1.53Å | 1.50Å | |
| O13 | C35 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C9 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C36 | O12 | sing | 1.43Å | 1.44Å | |
| O15 | C38 | doub | 1.21Å | 1.20Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.52Å | 1.54Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| O12 | C32 | sing | 1.43Å | 1.42Å | |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| C38 | O14 | sing | 1.34Å | 1.35Å | |
| C38 | C39 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | O14 | sing | 1.45Å | 1.45Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | O11 | sing | 1.43Å | 1.41Å | |
| C23 | O6 | sing | 1.34Å | 1.34Å | |
| C23 | O5 | doub | 1.21Å | 1.21Å | |
| C33 | O16 | sing | 1.43Å | 1.43Å | |
| O6 | C24 | sing | 1.45Å | 1.43Å | |
| O11 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | O7 | sing | 1.43Å | 1.41Å | |
| O7 | C28 | sing | 1.43Å | 1.44Å | |
| O9 | C26 | sing | 1.45Å | 1.44Å | |
| O9 | C30 | sing | 1.34Å | 1.36Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | O8 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C30 | C31 | sing | 1.51Å | 1.49Å | |
| C30 | O10 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C39 | H7 | sing | 1.09Å | 1.10Å | |
| C39 | H8 | sing | 1.09Å | 1.10Å | |
| C39 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| O16 | H12 | sing | 0.97Å | 0.95Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | H14 | sing | 0.97Å | 0.95Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| O8 | H26 | sing | 0.97Å | 0.95Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C16 | H41 | sing | 1.09Å | 1.10Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.08Å | 1.08Å | |
| C8 | H47 | sing | 1.08Å | 1.08Å | |
| C14 | H48 | sing | 1.08Å | 1.08Å | |
| C13 | H49 | sing | 1.08Å | 1.08Å | |
| C12 | H50 | sing | 1.08Å | 1.08Å | |
| C11 | H51 | sing | 1.08Å | 1.08Å | |
| C10 | H52 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C5 | 112.2° | 109.5° |
| C | C1 | C2 | 111.4° | 109.5° |
| C | C1 | H1 | 109.1° | 109.6° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C5 | C1 | C2 | 105.7° | 109.2° |
| C1 | C5 | C4 | 112.9° | 109.0° |
| C1 | C5 | O1 | 106.5° | 109.6° |
| C5 | C1 | H1 | 109.2° | 109.6° |
| C1 | C5 | H45 | 109.9° | 109.6° |
| C1 | C2 | O | 117.4° | 109.3° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| C1 | C2 | H3 | 107.5° | 109.5° |
| C4 | C5 | O1 | 106.4° | 109.5° |
| C5 | C4 | C3 | 112.3° | 109.2° |
| C5 | C4 | H43 | 108.8° | 109.5° |
| C5 | C4 | H44 | 108.8° | 109.5° |
| C4 | C5 | H45 | 110.0° | 109.5° |
| C5 | O1 | C6 | 116.8° | 116.9° |
| O1 | C5 | H45 | 111.1° | 109.6° |
| O2 | C6 | O1 | 124.3° | 120.0° |
| O2 | C6 | C7 | 126.4° | 120.1° |
| O3 | C16 | C15 | 67.3° | 57.3° |
| C16 | O3 | C15 | 56.8° | 64.5° |
| O3 | C16 | H41 | 118.7° | 117.8° |
| O3 | C16 | H42 | 118.7° | 117.8° |
| C16 | C15 | O3 | 55.9° | 58.3° |
| C16 | C15 | C3 | 120.8° | 122.6° |
| C16 | C15 | C17 | 130.3° | 121.3° |
| C15 | C16 | H41 | 118.7° | 117.8° |
| C15 | C16 | H42 | 118.7° | 117.8° |
| C4 | C3 | C15 | 113.1° | 110.2° |
| C4 | C3 | O | 110.6° | 110.2° |
| C4 | C3 | O4 | 109.9° | 109.5° |
| C3 | C4 | H43 | 108.8° | 109.6° |
| C3 | C4 | H44 | 108.8° | 109.6° |
| C2 | O | C3 | 114.1° | 114.2° |
| O | C2 | H2 | 107.4° | 109.5° |
| O | C2 | H3 | 107.4° | 109.5° |
| O1 | C6 | C7 | 109.3° | 119.9° |
| C6 | C7 | C8 | 118.0° | 119.9° |
| C6 | C7 | H46 | 121.0° | 120.0° |
| O3 | C15 | C3 | 108.1° | 123.0° |
| O3 | C15 | C17 | 91.6° | 121.7° |
| C3 | C15 | C17 | 103.7° | 104.9° |
| C15 | C3 | O | 106.5° | 110.3° |
| C15 | C3 | O4 | 106.0° | 107.1° |
| C15 | C17 | C22 | 95.7° | 100.6° |
| C15 | C17 | C18 | 110.1° | 106.9° |
| C15 | C17 | H40 | 114.2° | 113.2° |
| O | C3 | O4 | 110.7° | 109.5° |
| C3 | O4 | C22 | 105.4° | 106.2° |
| C7 | C8 | C9 | 127.2° | 120.0° |
| C8 | C7 | H46 | 121.0° | 120.0° |
| C7 | C8 | H47 | 116.4° | 120.1° |
| O4 | C22 | C17 | 102.8° | 104.7° |
| O4 | C22 | C21 | 116.6° | 113.2° |
| O4 | C22 | H39 | 107.4° | 108.1° |
| C22 | C17 | C18 | 106.2° | 110.7° |
| C17 | C22 | C21 | 115.5° | 113.3° |
| C17 | C22 | H39 | 107.1° | 108.6° |
| C22 | C17 | H40 | 114.9° | 112.5° |
| C17 | C18 | C19 | 114.2° | 110.9° |
| C17 | C18 | H35 | 108.3° | 109.2° |
| C17 | C18 | H36 | 108.3° | 109.2° |
| C18 | C17 | H40 | 114.1° | 112.3° |
| C8 | C9 | C14 | 120.3° | 120.2° |
| C8 | C9 | C10 | 120.9° | 120.1° |
| C9 | C8 | H47 | 116.4° | 120.0° |
| C22 | C21 | C20 | 111.0° | 111.5° |
| C22 | C21 | H37 | 109.1° | 109.6° |
| C22 | C21 | H38 | 109.1° | 108.5° |
| C21 | C22 | H39 | 106.9° | 108.7° |
| C37 | C36 | C35 | 113.1° | 109.5° |
| C37 | C36 | O12 | 105.5° | 109.5° |
| C37 | C36 | H15 | 109.5° | 109.4° |
| C36 | C37 | H16 | 109.5° | 109.4° |
| C36 | C37 | H17 | 109.5° | 109.5° |
| C36 | C37 | H18 | 109.5° | 109.5° |
| O13 | C35 | C36 | 111.2° | 109.6° |
| O13 | C35 | C34 | 115.3° | 109.6° |
| O13 | C35 | H13 | 108.3° | 109.5° |
| C35 | O13 | H14 | 109.5° | 114.0° |
| C18 | C19 | C20 | 111.6° | 108.7° |
| C18 | C19 | H33 | 108.9° | 109.5° |
| C18 | C19 | H34 | 108.9° | 109.7° |
| C19 | C18 | H35 | 108.3° | 109.1° |
| C19 | C18 | H36 | 108.3° | 109.2° |
| C14 | C9 | C10 | 118.7° | 119.6° |
| C9 | C14 | C13 | 120.7° | 119.9° |
| C9 | C14 | H48 | 119.7° | 120.1° |
| C9 | C10 | C11 | 120.7° | 119.8° |
| C9 | C10 | H52 | 119.7° | 120.1° |
| C35 | C36 | O12 | 109.1° | 109.4° |
| C36 | C35 | C34 | 107.1° | 109.2° |
| C36 | C35 | H13 | 107.3° | 109.5° |
| C35 | C36 | H15 | 109.2° | 109.4° |
| C36 | O12 | C32 | 117.1° | 114.1° |
| O12 | C36 | H15 | 110.4° | 109.5° |
| O15 | C38 | O14 | 123.4° | 120.0° |
| O15 | C38 | C39 | 125.8° | 120.0° |
| C14 | C13 | C12 | 119.9° | 120.2° |
| C13 | C14 | H48 | 119.7° | 120.0° |
| C14 | C13 | H49 | 120.1° | 119.9° |
| C21 | C20 | C19 | 109.7° | 108.9° |
| C21 | C20 | C23 | 107.9° | 108.9° |
| C21 | C20 | H32 | 109.3° | 109.8° |
| C20 | C21 | H37 | 109.1° | 109.1° |
| C20 | C21 | H38 | 109.1° | 109.1° |
| C35 | C34 | O14 | 115.9° | 109.5° |
| C35 | C34 | C33 | 108.9° | 109.1° |
| C35 | C34 | H10 | 109.6° | 109.6° |
| C34 | C35 | H13 | 107.3° | 109.5° |
| C19 | C20 | C23 | 111.4° | 109.7° |
| C19 | C20 | H32 | 109.1° | 109.7° |
| C20 | C19 | H33 | 108.9° | 109.6° |
| C20 | C19 | H34 | 109.0° | 109.6° |
| C10 | C11 | C12 | 120.1° | 120.2° |
| C10 | C11 | H51 | 120.0° | 119.9° |
| C11 | C10 | H52 | 119.6° | 120.1° |
| O12 | C32 | C33 | 112.2° | 109.4° |
| O12 | C32 | O11 | 106.8° | 109.5° |
| O12 | C32 | H19 | 111.4° | 109.5° |
| C20 | C23 | O6 | 111.0° | 120.0° |
| C20 | C23 | O5 | 125.8° | 120.0° |
| C23 | C20 | H32 | 109.4° | 109.7° |
| O14 | C38 | C39 | 110.8° | 120.0° |
| C38 | O14 | C34 | 119.2° | 117.0° |
| C38 | C39 | H7 | 109.5° | 109.5° |
| C38 | C39 | H8 | 109.5° | 109.4° |
| C38 | C39 | H9 | 109.5° | 109.5° |
| C13 | C12 | C11 | 119.9° | 120.4° |
| C12 | C13 | H49 | 120.0° | 119.9° |
| C13 | C12 | H50 | 120.0° | 119.8° |
| O14 | C34 | C33 | 101.9° | 109.6° |
| O14 | C34 | H10 | 110.7° | 109.5° |
| C34 | C33 | C32 | 112.1° | 109.2° |
| C34 | C33 | O16 | 113.4° | 109.5° |
| C33 | C34 | H10 | 109.6° | 109.5° |
| C34 | C33 | H11 | 106.2° | 109.5° |
| C11 | C12 | H50 | 120.0° | 119.8° |
| C12 | C11 | H51 | 120.0° | 120.0° |
| C33 | C32 | O11 | 104.8° | 109.5° |
| C32 | C33 | O16 | 111.1° | 109.5° |
| C32 | C33 | H11 | 106.2° | 109.6° |
| C33 | C32 | H19 | 109.9° | 109.4° |
| C32 | O11 | C25 | 118.1° | 114.0° |
| O11 | C32 | H19 | 111.6° | 109.5° |
| O6 | C23 | O5 | 123.1° | 120.0° |
| C23 | O6 | C24 | 115.9° | 117.0° |
| O16 | C33 | H11 | 107.3° | 109.5° |
| C33 | O16 | H12 | 109.5° | 114.0° |
| O6 | C24 | C25 | 107.5° | 109.5° |
| O6 | C24 | O7 | 101.2° | 109.5° |
| O6 | C24 | H31 | 112.1° | 109.5° |
| O11 | C25 | C24 | 108.3° | 109.5° |
| O11 | C25 | C26 | 107.1° | 109.5° |
| O11 | C25 | H20 | 111.5° | 109.5° |
| C24 | C25 | C26 | 109.1° | 109.2° |
| C25 | C24 | O7 | 112.4° | 109.4° |
| C24 | C25 | H20 | 110.2° | 109.5° |
| C25 | C24 | H31 | 110.7° | 109.4° |
| C25 | C26 | O9 | 111.2° | 109.5° |
| C25 | C26 | C27 | 111.1° | 109.0° |
| C26 | C25 | H20 | 110.4° | 109.6° |
| C25 | C26 | H21 | 106.5° | 109.6° |
| C24 | O7 | C28 | 114.2° | 114.1° |
| O7 | C24 | H31 | 112.5° | 109.5° |
| O7 | C28 | C27 | 109.5° | 109.5° |
| O7 | C28 | C29 | 106.5° | 109.5° |
| O7 | C28 | H27 | 109.9° | 109.5° |
| C26 | O9 | C30 | 115.5° | 117.0° |
| O9 | C26 | C27 | 113.8° | 109.5° |
| O9 | C26 | H21 | 107.3° | 109.6° |
| O9 | C30 | C31 | 111.3° | 120.0° |
| O9 | C30 | O10 | 123.0° | 120.1° |
| C26 | C27 | C28 | 105.8° | 109.1° |
| C26 | C27 | O8 | 113.8° | 109.5° |
| C27 | C26 | H21 | 106.5° | 109.6° |
| C26 | C27 | H25 | 108.8° | 109.5° |
| C28 | C27 | O8 | 109.4° | 109.5° |
| C27 | C28 | C29 | 113.1° | 109.5° |
| C28 | C27 | H25 | 108.8° | 109.5° |
| C27 | C28 | H27 | 108.8° | 109.5° |
| O8 | C27 | H25 | 110.1° | 109.6° |
| C27 | O8 | H26 | 109.5° | 114.0° |
| C29 | C28 | H27 | 109.0° | 109.4° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C31 | C30 | O10 | 125.7° | 120.0° |
| C30 | C31 | H22 | 109.5° | 109.5° |
| C30 | C31 | H23 | 109.5° | 109.5° |
| C30 | C31 | H24 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H4 | C | H5 | 109.4° | 109.4° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.4° |
| H7 | C39 | H8 | 109.5° | 109.5° |
| H7 | C39 | H9 | 109.5° | 109.5° |
| H8 | C39 | H9 | 109.5° | 109.5° |
| H16 | C37 | H17 | 109.5° | 109.5° |
| H16 | C37 | H18 | 109.4° | 109.5° |
| H17 | C37 | H18 | 109.5° | 109.5° |
| H22 | C31 | H23 | 109.5° | 109.4° |
| H22 | C31 | H24 | 109.4° | 109.4° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.4° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.6° |
| H35 | C18 | H36 | 109.5° | 109.2° |
| H37 | C21 | H38 | 109.5° | 109.0° |
| H41 | C16 | H42 | 109.5° | 115.7° |
| H43 | C4 | H44 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C5 | C2 | 121.5° | 119.9° |
| C | C1 | C5 | H1 | 121.1° | 120.2° |
| C | C1 | C2 | H1 | 120.6° | 120.2° |
| C | C1 | C5 | C4 | 165.5° | 177.2° |
| C | C1 | C5 | O1 | 49.1° | 57.3° |
| C | C1 | C2 | O | 109.5° | 177.8° |
| C | C1 | C2 | H2 | 11.6° | 57.8° |
| C | C1 | C2 | H3 | 129.3° | 62.2° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.1° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C | C1 | C5 | H45 | 71.4° | 63.0° |
| C5 | C1 | C2 | H1 | 117.3° | 120.0° |
| C1 | C5 | C4 | O1 | 116.5° | 119.9° |
| C1 | C5 | C4 | H45 | 123.1° | 119.9° |
| C1 | C5 | O1 | H45 | 119.7° | 120.3° |
| C1 | C5 | C4 | C3 | 59.8° | 56.5° |
| C5 | C1 | C2 | O | 12.5° | 57.9° |
| C1 | C5 | O1 | C6 | 135.5° | 90.0° |
| C5 | C1 | C2 | H2 | 133.7° | 62.0° |
| C5 | C1 | C2 | H3 | 108.6° | 177.9° |
| C5 | C1 | C | H4 | 180.0° | 60.0° |
| C5 | C1 | C | H5 | 60.0° | 180.0° |
| C5 | C1 | C | H6 | 60.0° | 60.0° |
| C1 | C5 | C4 | H43 | 60.6° | 176.4° |
| C1 | C5 | C4 | H44 | 179.8° | 63.5° |
| C2 | C1 | C5 | C4 | 44.0° | 57.3° |
| C2 | C1 | C5 | O1 | 72.5° | 62.6° |
| C1 | C2 | O | H2 | 121.2° | 120.0° |
| C1 | C2 | O | H3 | 121.2° | 120.0° |
| C1 | C2 | O | C3 | 60.9° | 60.6° |
| C1 | C2 | H2 | H3 | 116.4° | 120.1° |
| C2 | C1 | C | H4 | 61.8° | 179.8° |
| C2 | C1 | C | H5 | 58.2° | 60.3° |
| C2 | C1 | C | H6 | 178.2° | 59.7° |
| C2 | C1 | C5 | H45 | 167.1° | 177.1° |
| C4 | C5 | O1 | H45 | 119.7° | 120.2° |
| C5 | C4 | C3 | H43 | 120.4° | 119.9° |
| C5 | C4 | C3 | H44 | 120.4° | 119.9° |
| C4 | C5 | O1 | C6 | 103.8° | 150.4° |
| C5 | C4 | C3 | C15 | 132.2° | 178.7° |
| C5 | C4 | C3 | O | 12.9° | 56.8° |
| C5 | C4 | C3 | O4 | 109.6° | 63.8° |
| C4 | C5 | C1 | H1 | 73.4° | 62.6° |
| C5 | C4 | H43 | H44 | 118.7° | 120.1° |
| C5 | O1 | C6 | O2 | 5.5° | 0.1° |
| O1 | C5 | C4 | C3 | 56.7° | 63.4° |
| C5 | O1 | C6 | C7 | 171.8° | 180.0° |
| O1 | C5 | C1 | H1 | 170.1° | 177.5° |
| O1 | C5 | C4 | H43 | 177.2° | 56.5° |
| O1 | C5 | C4 | H44 | 63.7° | 176.7° |
| O2 | C6 | O1 | C7 | 177.4° | 179.9° |
| O2 | C6 | C7 | C8 | 173.7° | 0.1° |
| O2 | C6 | C7 | H46 | 6.3° | 180.0° |
| O3 | C16 | C15 | H41 | 111.4° | 106.7° |
| O3 | C16 | C15 | H42 | 111.4° | 106.8° |
| O3 | C16 | C15 | C3 | 92.0° | 111.4° |
| O3 | C16 | C15 | C17 | 58.0° | 110.3° |
| O3 | C16 | H41 | H42 | 140.8° | 147.2° |
| C16 | C15 | C3 | C4 | 14.7° | 97.4° |
| C16 | C15 | C3 | C17 | 156.9° | 144.0° |
| C16 | C15 | C3 | O | 106.9° | 24.5° |
| C16 | C15 | C3 | O4 | 135.1° | 143.6° |
| C16 | C15 | C17 | C22 | 110.4° | 166.9° |
| C16 | C15 | C17 | C18 | 140.0° | 51.2° |
| C16 | C15 | C17 | H40 | 10.2° | 72.9° |
| C15 | C16 | H41 | H42 | 140.8° | 147.2° |
| C4 | C3 | O | C2 | 43.8° | 60.3° |
| C4 | C3 | C15 | O3 | 45.9° | 26.6° |
| C4 | C3 | C15 | O | 121.6° | 121.9° |
| C4 | C3 | C15 | O4 | 120.5° | 119.0° |
| C4 | C3 | C15 | C17 | 142.2° | 118.6° |
| C4 | C3 | O | O4 | 122.1° | 120.5° |
| C4 | C3 | O4 | C22 | 112.4° | 94.1° |
| C3 | C4 | H43 | H44 | 118.7° | 120.2° |
| C3 | C4 | C5 | H45 | 177.1° | 176.4° |
| C2 | O | C3 | C15 | 79.4° | 177.8° |
| C2 | O | C3 | O4 | 165.9° | 60.2° |
| O | C2 | C1 | H1 | 129.9° | 62.1° |
| O | C2 | H2 | H3 | 116.4° | 120.1° |
| O1 | C6 | C7 | C8 | 3.6° | 180.0° |
| C6 | O1 | C5 | H45 | 15.9° | 30.2° |
| O1 | C6 | C7 | H46 | 176.4° | 0.0° |
| C6 | C7 | C8 | H46 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 168.6° | 180.0° |
| C6 | C7 | C8 | H47 | 11.4° | 0.1° |
| O3 | C15 | C3 | C17 | 96.3° | 145.2° |
| O3 | C15 | C3 | O | 167.5° | 95.3° |
| O3 | C15 | C3 | O4 | 74.6° | 145.6° |
| O3 | C15 | C17 | C22 | 65.8° | 123.5° |
| O3 | C15 | C17 | C18 | 175.4° | 120.9° |
| O3 | C15 | C17 | H40 | 54.8° | 3.3° |
| C15 | C3 | O | O4 | 114.7° | 117.6° |
| C15 | C3 | O4 | C22 | 10.1° | 25.3° |
| C3 | C15 | C17 | C22 | 43.3° | 22.3° |
| C3 | C15 | C17 | C18 | 66.3° | 93.3° |
| C3 | C15 | C17 | H40 | 163.9° | 142.5° |
| C3 | C15 | C16 | H41 | 19.4° | 141.9° |
| C3 | C15 | C16 | H42 | 156.7° | 4.6° |
| C15 | C3 | C4 | H43 | 11.8° | 61.4° |
| C15 | C3 | C4 | H44 | 107.4° | 58.8° |
| C17 | C15 | C3 | O | 96.2° | 119.5° |
| C17 | C15 | C3 | O4 | 21.7° | 0.4° |
| C15 | C17 | C22 | O4 | 49.8° | 38.3° |
| C15 | C17 | C22 | C18 | 112.8° | 112.8° |
| C15 | C17 | C22 | H40 | 120.0° | 120.7° |
| C15 | C17 | C18 | H40 | 129.9° | 124.7° |
| C15 | C17 | C22 | C21 | 178.0° | 162.1° |
| C15 | C17 | C18 | C19 | 122.6° | 162.8° |
| C15 | C17 | C18 | H35 | 1.9° | 76.9° |
| C15 | C17 | C18 | H36 | 116.7° | 42.4° |
| C15 | C17 | C22 | H39 | 63.1° | 77.0° |
| C17 | C15 | C16 | H41 | 169.4° | 3.5° |
| C17 | C15 | C16 | H42 | 53.4° | 143.0° |
| O | C3 | O4 | C22 | 125.1° | 144.9° |
| C3 | O | C2 | H2 | 177.9° | 59.3° |
| C3 | O | C2 | H3 | 60.2° | 179.4° |
| O | C3 | C4 | H43 | 107.5° | 176.6° |
| O | C3 | C4 | H44 | 133.4° | 63.2° |
| C3 | O4 | C22 | C17 | 39.2° | 40.5° |
| C3 | O4 | C22 | C21 | 166.7° | 164.4° |
| C3 | O4 | C22 | H39 | 73.5° | 75.1° |
| O4 | C3 | C4 | H43 | 130.0° | 56.1° |
| O4 | C3 | C4 | H44 | 10.8° | 176.3° |
| C7 | C8 | C9 | H47 | 180.0° | 180.0° |
| C7 | C8 | C9 | C14 | 2.4° | 180.0° |
| C7 | C8 | C9 | C10 | 177.4° | 0.3° |
| O4 | C22 | C17 | C21 | 128.1° | 123.8° |
| O4 | C22 | C17 | H39 | 113.0° | 115.3° |
| O4 | C22 | C17 | C18 | 63.0° | 74.5° |
| O4 | C22 | C21 | H39 | 120.1° | 120.1° |
| O4 | C22 | C21 | C20 | 76.7° | 67.1° |
| O4 | C22 | C21 | H37 | 163.1° | 53.8° |
| O4 | C22 | C21 | H38 | 43.6° | 172.8° |
| O4 | C22 | C17 | H40 | 169.9° | 159.0° |
| C22 | C17 | C18 | H40 | 127.6° | 126.6° |
| C17 | C22 | C21 | H39 | 119.0° | 120.8° |
| C22 | C17 | C18 | C19 | 20.1° | 54.1° |
| C17 | C22 | C21 | C20 | 44.3° | 52.0° |
| C22 | C17 | C18 | H35 | 100.6° | 174.4° |
| C22 | C17 | C18 | H36 | 140.8° | 66.3° |
| C17 | C22 | C21 | H37 | 75.9° | 172.9° |
| C17 | C22 | C21 | H38 | 164.5° | 68.2° |
| C18 | C17 | C22 | C21 | 65.2° | 49.4° |
| C17 | C18 | C19 | H35 | 120.7° | 120.3° |
| C17 | C18 | C19 | H36 | 120.7° | 120.3° |
| C17 | C18 | C19 | C20 | 39.2° | 61.9° |
| C17 | C18 | C19 | H33 | 81.1° | 57.8° |
| C17 | C18 | C19 | H34 | 159.5° | 178.2° |
| C17 | C18 | H35 | H36 | 117.9° | 119.3° |
| C18 | C17 | C22 | H39 | 176.0° | 170.2° |
| C8 | C9 | C14 | C10 | 175.1° | 179.7° |
| C8 | C9 | C14 | C13 | 172.5° | 180.0° |
| C8 | C9 | C10 | C11 | 171.5° | 179.7° |
| C9 | C8 | C7 | H46 | 11.4° | 0.0° |
| C8 | C9 | C14 | H48 | 7.5° | 0.1° |
| C8 | C9 | C10 | H52 | 8.5° | 0.1° |
| C22 | C21 | C20 | H37 | 120.2° | 121.2° |
| C22 | C21 | C20 | H38 | 120.2° | 119.8° |
| C22 | C21 | C20 | C19 | 19.4° | 58.5° |
| C22 | C21 | C20 | C23 | 140.9° | 61.2° |
| C22 | C21 | C20 | H32 | 100.2° | 178.7° |
| C22 | C21 | H37 | H38 | 119.3° | 118.6° |
| C21 | C22 | C17 | H40 | 62.0° | 77.1° |
| C37 | C36 | C35 | O13 | 53.8° | 62.4° |
| C37 | C36 | C35 | O12 | 117.1° | 120.0° |
| C37 | C36 | C35 | H15 | 122.2° | 120.0° |
| C37 | C36 | O12 | H15 | 118.2° | 120.0° |
| C37 | C36 | C35 | C34 | 179.3° | 177.6° |
| C37 | C36 | O12 | C32 | 179.0° | 178.8° |
| C37 | C36 | C35 | H13 | 64.5° | 57.8° |
| C36 | C37 | H16 | H17 | 120.0° | 120.0° |
| C36 | C37 | H16 | H18 | 120.0° | 120.0° |
| C36 | C37 | H17 | H18 | 120.0° | 120.0° |
| O13 | C35 | C36 | C34 | 126.8° | 120.0° |
| O13 | C35 | C36 | H13 | 118.3° | 120.1° |
| O13 | C35 | C36 | O12 | 170.9° | 177.6° |
| O13 | C35 | C34 | H13 | 120.7° | 120.1° |
| O13 | C35 | C34 | O14 | 59.4° | 63.1° |
| O13 | C35 | C34 | C33 | 173.5° | 176.9° |
| O13 | C35 | C34 | H10 | 66.6° | 57.0° |
| O13 | C35 | C36 | H15 | 68.3° | 57.6° |
| C18 | C19 | C20 | C21 | 60.6° | 63.1° |
| C18 | C19 | C20 | H33 | 120.3° | 119.7° |
| C18 | C19 | C20 | H34 | 120.3° | 119.9° |
| C18 | C19 | C20 | C23 | 179.9° | 56.1° |
| C18 | C19 | C20 | H32 | 59.1° | 176.7° |
| C18 | C19 | H33 | H34 | 119.0° | 120.4° |
| C19 | C18 | H35 | H36 | 117.8° | 119.3° |
| C19 | C18 | C17 | H40 | 107.5° | 72.5° |
| C9 | C14 | C13 | H48 | 180.0° | 179.9° |
| C14 | C9 | C10 | C11 | 3.6° | 0.6° |
| C9 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C9 | C8 | H47 | 177.6° | 0.0° |
| C9 | C14 | C13 | H49 | 179.8° | 180.0° |
| C14 | C9 | C10 | H52 | 176.4° | 179.7° |
| C10 | C9 | C14 | C13 | 2.6° | 0.3° |
| C9 | C10 | C11 | H52 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 1.7° | 0.6° |
| C10 | C9 | C8 | H47 | 2.6° | 179.7° |
| C10 | C9 | C14 | H48 | 177.4° | 179.8° |
| C9 | C10 | C11 | H51 | 178.3° | 179.7° |
| C35 | C36 | O12 | H15 | 120.0° | 120.0° |
| C36 | C35 | C34 | H13 | 114.9° | 119.8° |
| C35 | C36 | O12 | C32 | 57.3° | 61.1° |
| C36 | C35 | C34 | O14 | 176.2° | 176.8° |
| C36 | C35 | C34 | C33 | 62.1° | 56.9° |
| C36 | C35 | C34 | H10 | 57.7° | 63.0° |
| C36 | C35 | O13 | H14 | 133.0° | 60.3° |
| C35 | C36 | C37 | H16 | 180.0° | 54.4° |
| C35 | C36 | C37 | H17 | 60.0° | 174.4° |
| C35 | C36 | C37 | H18 | 60.0° | 65.6° |
| O12 | C36 | C35 | C34 | 62.3° | 57.6° |
| C36 | O12 | C32 | C33 | 48.3° | 61.1° |
| C36 | O12 | C32 | O11 | 162.7° | 178.8° |
| O12 | C36 | C35 | H13 | 52.6° | 62.3° |
| O12 | C36 | C37 | H16 | 60.8° | 65.6° |
| O12 | C36 | C37 | H17 | 179.2° | 54.4° |
| O12 | C36 | C37 | H18 | 59.2° | 174.4° |
| C36 | O12 | C32 | H19 | 75.3° | 58.8° |
| O15 | C38 | O14 | C39 | 179.9° | 179.9° |
| O15 | C38 | O14 | C34 | 20.0° | 0.0° |
| O15 | C38 | C39 | H7 | 0.0° | 90.0° |
| O15 | C38 | C39 | H8 | 120.0° | 150.1° |
| O15 | C38 | C39 | H9 | 120.0° | 30.1° |
| C14 | C13 | C12 | H49 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 2.1° | 0.0° |
| C14 | C13 | C12 | H50 | 177.9° | 180.0° |
| C21 | C20 | C19 | C23 | 119.4° | 119.2° |
| C21 | C20 | C19 | H32 | 119.7° | 120.2° |
| C21 | C20 | C23 | H32 | 118.8° | 120.2° |
| C21 | C20 | C23 | O6 | 128.1° | 152.5° |
| C21 | C20 | C23 | O5 | 51.0° | 27.5° |
| C21 | C20 | C19 | H33 | 59.7° | 56.6° |
| C21 | C20 | C19 | H34 | 179.1° | 177.0° |
| C20 | C21 | H37 | H38 | 119.3° | 119.0° |
| C20 | C21 | C22 | H39 | 163.3° | 172.8° |
| C35 | C34 | O14 | C38 | 77.8° | 150.4° |
| C35 | C34 | O14 | C33 | 118.0° | 119.6° |
| C35 | C34 | O14 | H10 | 125.5° | 120.2° |
| C35 | C34 | C33 | H10 | 119.8° | 119.9° |
| C35 | C34 | C33 | C32 | 54.4° | 56.9° |
| C35 | C34 | C33 | O16 | 178.8° | 176.9° |
| C35 | C34 | C33 | H11 | 61.2° | 63.1° |
| C34 | C35 | O13 | H14 | 10.8° | 179.9° |
| C34 | C35 | C36 | H15 | 58.5° | 62.4° |
| C19 | C20 | C23 | H32 | 120.7° | 120.6° |
| C19 | C20 | C23 | O6 | 7.7° | 33.4° |
| C19 | C20 | C23 | O5 | 171.4° | 146.6° |
| C20 | C19 | H33 | H34 | 119.1° | 120.4° |
| C20 | C19 | C18 | H35 | 159.9° | 177.8° |
| C20 | C19 | C18 | H36 | 81.5° | 58.4° |
| C19 | C20 | C21 | H37 | 139.6° | 179.7° |
| C19 | C20 | C21 | H38 | 100.8° | 61.4° |
| C10 | C11 | C12 | C13 | 1.2° | 0.3° |
| C10 | C11 | C12 | H51 | 180.0° | 179.7° |
| C10 | C11 | C12 | H50 | 178.8° | 179.8° |
| O12 | C32 | C33 | C34 | 45.9° | 57.6° |
| O12 | C32 | C33 | O11 | 115.5° | 120.0° |
| O12 | C32 | C33 | H19 | 124.4° | 119.9° |
| O12 | C32 | O11 | H19 | 121.9° | 120.0° |
| O12 | C32 | C33 | O16 | 173.9° | 177.5° |
| O12 | C32 | O11 | C25 | 92.4° | 71.5° |
| O12 | C32 | C33 | H11 | 69.8° | 62.4° |
| C32 | O12 | C36 | H15 | 62.8° | 58.8° |
| C20 | C23 | O6 | O5 | 179.1° | 180.0° |
| C20 | C23 | O6 | C24 | 163.2° | 176.2° |
| C23 | C20 | C19 | H33 | 59.6° | 175.8° |
| C23 | C20 | C19 | H34 | 59.7° | 63.8° |
| C23 | C20 | C21 | H37 | 98.8° | 60.1° |
| C23 | C20 | C21 | H38 | 20.7° | 179.0° |
| C38 | O14 | C34 | C33 | 164.1° | 90.0° |
| O14 | C38 | C39 | H7 | 179.9° | 89.9° |
| O14 | C38 | C39 | H8 | 59.9° | 30.0° |
| O14 | C38 | C39 | H9 | 60.1° | 150.0° |
| C38 | O14 | C34 | H10 | 47.6° | 30.2° |
| C39 | C38 | O14 | C34 | 159.9° | 179.9° |
| C38 | C39 | H7 | H8 | 120.0° | 119.9° |
| C38 | C39 | H7 | H9 | 120.0° | 120.0° |
| C38 | C39 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C11 | H50 | 180.0° | 179.9° |
| C12 | C13 | C14 | H48 | 179.8° | 180.0° |
| C13 | C12 | C11 | H51 | 178.8° | 179.9° |
| O14 | C34 | C33 | H10 | 117.3° | 120.2° |
| O14 | C34 | C33 | C32 | 177.3° | 176.8° |
| O14 | C34 | C33 | O16 | 55.9° | 63.2° |
| O14 | C34 | C33 | H11 | 61.7° | 56.8° |
| O14 | C34 | C35 | H13 | 61.3° | 57.0° |
| C34 | C33 | C32 | O16 | 128.0° | 119.9° |
| C34 | C33 | C32 | H11 | 115.6° | 119.9° |
| C34 | C33 | C32 | O11 | 161.4° | 177.6° |
| C34 | C33 | O16 | H11 | 117.0° | 120.0° |
| C34 | C33 | O16 | H12 | 180.0° | 179.9° |
| C33 | C34 | C35 | H13 | 52.8° | 62.9° |
| C34 | C33 | C32 | H19 | 78.6° | 62.4° |
| C11 | C12 | C13 | H49 | 177.9° | 180.0° |
| C12 | C11 | C10 | H52 | 178.3° | 179.7° |
| C33 | C32 | O11 | H19 | 118.9° | 120.0° |
| C32 | C33 | O16 | H11 | 115.7° | 120.2° |
| C33 | C32 | O11 | C25 | 148.3° | 168.6° |
| C32 | C33 | C34 | H10 | 65.4° | 63.0° |
| C32 | C33 | O16 | H12 | 52.7° | 60.3° |
| O11 | C32 | C33 | O16 | 70.6° | 62.5° |
| C32 | O11 | C25 | C24 | 130.7° | 143.6° |
| C32 | O11 | C25 | C26 | 111.7° | 96.7° |
| O11 | C32 | C33 | H11 | 45.8° | 57.7° |
| C32 | O11 | C25 | H20 | 9.2° | 23.5° |
| C23 | O6 | C24 | C25 | 122.3° | 169.1° |
| C23 | O6 | C24 | O7 | 119.7° | 71.0° |
| C23 | O6 | C24 | H31 | 0.4° | 49.1° |
| O6 | C23 | C20 | H32 | 113.1° | 87.3° |
| O5 | C23 | O6 | C24 | 17.7° | 3.8° |
| O5 | C23 | C20 | H32 | 67.8° | 92.8° |
| O16 | C33 | C34 | H10 | 61.4° | 56.9° |
| O16 | C33 | C32 | H19 | 49.4° | 57.5° |
| O6 | C24 | C25 | O11 | 82.6° | 62.5° |
| O6 | C24 | C25 | O7 | 110.6° | 120.0° |
| O6 | C24 | C25 | H31 | 122.8° | 120.0° |
| O6 | C24 | C25 | C26 | 161.1° | 177.6° |
| O6 | C24 | O7 | H31 | 119.8° | 120.1° |
| O6 | C24 | O7 | C28 | 169.7° | 178.9° |
| O6 | C24 | C25 | H20 | 39.7° | 57.6° |
| O11 | C25 | C24 | C26 | 116.3° | 119.9° |
| O11 | C25 | C24 | H20 | 122.3° | 120.1° |
| O11 | C25 | C26 | H20 | 121.6° | 120.2° |
| O11 | C25 | C24 | O7 | 166.8° | 177.5° |
| O11 | C25 | C26 | O9 | 59.9° | 63.3° |
| O11 | C25 | C26 | C27 | 172.2° | 176.9° |
| C25 | O11 | C32 | H19 | 29.4° | 48.6° |
| O11 | C25 | C26 | H21 | 56.7° | 57.0° |
| O11 | C25 | C24 | H31 | 40.2° | 57.5° |
| C24 | C25 | C26 | H20 | 121.3° | 119.9° |
| C25 | C24 | O7 | H31 | 125.7° | 119.9° |
| C25 | C24 | O7 | C28 | 55.2° | 61.1° |
| C24 | C25 | C26 | O9 | 177.0° | 176.8° |
| C24 | C25 | C26 | C27 | 55.2° | 57.0° |
| C24 | C25 | C26 | H21 | 60.4° | 62.9° |
| C26 | C25 | C24 | O7 | 50.5° | 57.6° |
| C25 | C26 | O9 | C27 | 126.4° | 119.5° |
| C25 | C26 | O9 | H21 | 116.1° | 120.2° |
| C25 | C26 | O9 | C30 | 127.6° | 150.0° |
| C25 | C26 | C27 | H21 | 115.6° | 119.9° |
| C25 | C26 | C27 | C28 | 60.8° | 57.0° |
| C25 | C26 | C27 | O8 | 179.1° | 176.9° |
| C25 | C26 | C27 | H25 | 56.0° | 62.9° |
| C26 | C25 | C24 | H31 | 76.2° | 62.4° |
| C24 | O7 | C28 | C27 | 61.6° | 61.1° |
| C24 | O7 | C28 | C29 | 175.8° | 178.9° |
| O7 | C24 | C25 | H20 | 70.9° | 62.4° |
| C24 | O7 | C28 | H27 | 57.9° | 58.9° |
| O7 | C28 | C27 | C26 | 61.8° | 57.6° |
| O7 | C28 | C27 | C29 | 118.6° | 120.0° |
| O7 | C28 | C27 | H27 | 120.1° | 120.0° |
| O7 | C28 | C27 | O8 | 175.2° | 177.5° |
| O7 | C28 | C29 | H27 | 118.5° | 120.0° |
| O7 | C28 | C27 | H25 | 54.9° | 62.3° |
| O7 | C28 | C29 | H28 | 180.0° | 60.0° |
| O7 | C28 | C29 | H29 | 60.0° | 60.0° |
| O7 | C28 | C29 | H30 | 60.0° | 180.0° |
| C28 | O7 | C24 | H31 | 70.5° | 58.8° |
| O9 | C26 | C27 | H21 | 118.0° | 120.2° |
| O9 | C26 | C27 | C28 | 172.8° | 176.9° |
| O9 | C26 | C27 | O8 | 52.7° | 63.3° |
| C26 | O9 | C30 | C31 | 158.3° | 180.0° |
| C26 | O9 | C30 | O10 | 18.5° | 0.0° |
| O9 | C26 | C25 | H20 | 61.7° | 56.9° |
| O9 | C26 | C27 | H25 | 70.4° | 57.0° |
| C30 | O9 | C26 | C27 | 106.0° | 90.4° |
| O9 | C30 | C31 | O10 | 176.7° | 180.0° |
| C30 | O9 | C26 | H21 | 11.5° | 29.8° |
| O9 | C30 | C31 | H22 | 176.6° | 0.0° |
| O9 | C30 | C31 | H23 | 63.3° | 120.0° |
| O9 | C30 | C31 | H24 | 56.7° | 120.0° |
| C26 | C27 | C28 | O8 | 123.0° | 119.9° |
| C26 | C27 | C28 | H25 | 116.7° | 119.9° |
| C26 | C27 | O8 | H25 | 122.4° | 120.2° |
| C26 | C27 | C28 | C29 | 179.6° | 177.6° |
| C27 | C26 | C25 | H20 | 66.1° | 62.9° |
| C26 | C27 | O8 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | H27 | 58.3° | 62.4° |
| C28 | C27 | O8 | H25 | 119.5° | 120.2° |
| C27 | C28 | C29 | H27 | 121.2° | 120.0° |
| C28 | C27 | C26 | H21 | 54.8° | 62.9° |
| C28 | C27 | O8 | H26 | 61.9° | 60.4° |
| C27 | C28 | C29 | H28 | 59.7° | 60.0° |
| C27 | C28 | C29 | H29 | 60.3° | 180.0° |
| C27 | C28 | C29 | H30 | 179.7° | 60.0° |
| O8 | C27 | C28 | C29 | 56.6° | 62.5° |
| O8 | C27 | C26 | H21 | 65.3° | 57.0° |
| O8 | C27 | C28 | H27 | 64.7° | 57.5° |
| C29 | C28 | C27 | H25 | 63.7° | 57.7° |
| C28 | C29 | H28 | H29 | 120.0° | 120.0° |
| C28 | C29 | H28 | H30 | 120.0° | 120.0° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| C30 | C31 | H22 | H23 | 120.0° | 120.0° |
| C30 | C31 | H22 | H24 | 120.0° | 120.0° |
| C30 | C31 | H23 | H24 | 120.0° | 120.1° |
| O10 | C30 | C31 | H22 | 0.0° | 180.0° |
| O10 | C30 | C31 | H23 | 120.0° | 60.1° |
| O10 | C30 | C31 | H24 | 120.0° | 60.0° |
| H1 | C1 | C2 | H2 | 109.0° | 178.0° |
| H1 | C1 | C2 | H3 | 8.7° | 57.9° |
| H1 | C1 | C | H4 | 58.9° | 60.1° |
| H1 | C1 | C | H5 | 178.9° | 59.8° |
| H1 | C1 | C | H6 | 61.1° | 179.8° |
| H1 | C1 | C5 | H45 | 49.7° | 57.2° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H7 | C39 | H8 | H9 | 120.0° | 120.1° |
| H10 | C34 | C33 | H11 | 179.0° | 177.0° |
| H10 | C34 | C35 | H13 | 172.6° | 177.2° |
| H11 | C33 | O16 | H12 | 63.0° | 59.9° |
| H11 | C33 | C32 | H19 | 165.8° | 177.7° |
| H13 | C35 | O13 | H14 | 109.4° | 59.8° |
| H13 | C35 | C36 | H15 | 173.4° | 177.7° |
| H15 | C36 | C37 | H16 | 58.0° | 174.3° |
| H15 | C36 | C37 | H17 | 62.0° | 65.7° |
| H15 | C36 | C37 | H18 | 178.0° | 54.4° |
| H16 | C37 | H17 | H18 | 119.9° | 120.0° |
| H20 | C25 | C26 | H21 | 178.3° | 177.2° |
| H20 | C25 | C24 | H31 | 162.5° | 177.7° |
| H21 | C26 | C27 | H25 | 171.6° | 177.2° |
| H22 | C31 | H23 | H24 | 120.0° | 120.0° |
| H25 | C27 | O8 | H26 | 57.6° | 59.8° |
| H25 | C27 | C28 | H27 | 175.0° | 177.7° |
| H27 | C28 | C29 | H28 | 61.5° | 180.0° |
| H27 | C28 | C29 | H29 | 178.5° | 60.0° |
| H27 | C28 | C29 | H30 | 58.5° | 60.0° |
| H28 | C29 | H29 | H30 | 120.0° | 120.0° |
| H32 | C20 | C19 | H33 | 179.4° | 63.6° |
| H32 | C20 | C19 | H34 | 61.2° | 56.8° |
| H32 | C20 | C21 | H37 | 20.1° | 60.1° |
| H32 | C20 | C21 | H38 | 139.6° | 58.8° |
| H33 | C19 | C18 | H35 | 39.6° | 62.5° |
| H33 | C19 | C18 | H36 | 158.2° | 178.2° |
| H34 | C19 | C18 | H35 | 79.8° | 57.9° |
| H34 | C19 | C18 | H36 | 38.8° | 61.4° |
| H35 | C18 | C17 | H40 | 131.8° | 47.8° |
| H36 | C18 | C17 | H40 | 13.2° | 167.1° |
| H37 | C21 | C22 | H39 | 43.1° | 66.3° |
| H38 | C21 | C22 | H39 | 76.5° | 52.6° |
| H39 | C22 | C17 | H40 | 56.9° | 43.7° |
| H43 | C4 | C5 | H45 | 62.5° | 63.7° |
| H44 | C4 | C5 | H45 | 56.7° | 56.4° |
| H46 | C7 | C8 | H47 | 168.6° | 179.9° |
| H48 | C14 | C13 | H49 | 0.2° | 0.1° |
| H49 | C13 | C12 | H50 | 2.1° | 0.1° |
| H50 | C12 | C11 | H51 | 1.2° | 0.0° |
| H51 | C11 | C10 | H52 | 1.7° | 0.1° |
