R27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| O2 | C3 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C46 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C45 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.51Å | 1.58Å | |
| C6 | C7 | doub | 1.31Å | 1.38Å | |
| C43 | C42 | sing | 1.51Å | 1.53Å | |
| O6 | C18 | sing | 1.43Å | 1.37Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C7 | C9 | sing | 1.51Å | 1.53Å | |
| O5 | C10 | doub | 1.21Å | 1.18Å | |
| C18 | C19 | sing | 1.52Å | 1.57Å | |
| C18 | C17 | sing | 1.52Å | 1.56Å | |
| C42 | O12 | doub | 1.21Å | 1.18Å | |
| C42 | N3 | sing | 1.35Å | 1.47Å | |
| C9 | C17 | sing | 1.53Å | 1.53Å | |
| C9 | O3 | sing | 1.45Å | 1.41Å | |
| C10 | O3 | sing | 1.34Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.59Å | |
| N2 | N3 | sing | 1.40Å | 1.43Å | |
| N2 | C20 | doub | 1.28Å | 1.26Å | |
| C41 | C40 | doub | 1.31Å | 1.30Å | |
| C40 | C39 | sing | 1.51Å | 1.52Å | |
| C17 | C44 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.58Å | |
| C11 | C16 | sing | 1.53Å | 1.50Å | |
| C11 | N1 | sing | 1.47Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.46Å | |
| O4 | C12 | doub | 1.22Å | 1.17Å | |
| C39 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.50Å | 1.52Å | |
| N1 | C12 | sing | 1.34Å | 1.46Å | |
| N1 | C13 | sing | 1.47Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.47Å | |
| C35 | C34 | sing | 1.54Å | 1.58Å | |
| C32 | O8 | sing | 1.43Å | 1.41Å | |
| C12 | C37 | sing | 1.49Å | 1.56Å | |
| C34 | C33 | sing | 1.53Å | 1.50Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | C31 | sing | 1.53Å | 1.46Å | |
| C22 | C23 | doub | 1.31Å | 1.36Å | |
| C31 | O8 | sing | 1.43Å | 1.45Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C38 | C23 | sing | 1.51Å | 1.58Å | |
| C37 | C36 | sing | 1.51Å | 1.53Å | |
| C37 | O11 | doub | 1.21Å | 1.18Å | |
| C23 | C24 | sing | 1.51Å | 1.58Å | |
| C36 | O9 | sing | 1.43Å | 1.45Å | |
| C36 | O10 | sing | 1.43Å | 1.39Å | |
| C27 | C25 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| O9 | C30 | sing | 1.43Å | 1.46Å | |
| C30 | C28 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C28 | O7 | sing | 1.43Å | 1.42Å | |
| O7 | C29 | sing | 1.43Å | 1.43Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.10Å | |
| C13 | H17 | sing | 1.10Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H63 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.10Å | 1.10Å | |
| C18 | H25 | sing | 1.10Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.08Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.10Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.10Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.08Å | 1.08Å | |
| C41 | H62 | sing | 1.08Å | 1.08Å | |
| C41 | H61 | sing | 1.08Å | 1.08Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H70 | sing | 1.09Å | 1.10Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O10 | H54 | sing | 0.97Å | 0.95Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.2° | 109.5° |
| O1 | C1 | C46 | 110.2° | 109.5° |
| O1 | C1 | H2 | 110.2° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C3 | O2 | C2 | 114.1° | 113.9° |
| O2 | C3 | H6 | 109.5° | 109.4° |
| O2 | C3 | H4 | 109.4° | 109.5° |
| O2 | C3 | H5 | 109.5° | 109.4° |
| O2 | C2 | C1 | 109.7° | 109.4° |
| O2 | C2 | C4 | 108.1° | 109.4° |
| O2 | C2 | H3 | 110.5° | 109.5° |
| C2 | C1 | C46 | 110.1° | 109.5° |
| C1 | C2 | C4 | 110.9° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C1 | C2 | H3 | 108.9° | 109.5° |
| C1 | C46 | C45 | 110.8° | 109.5° |
| C46 | C1 | H2 | 108.5° | 109.4° |
| C1 | C46 | H72 | 109.2° | 109.5° |
| C1 | C46 | H73 | 109.1° | 109.4° |
| C2 | C4 | C5 | 111.5° | 109.5° |
| C2 | C4 | H7 | 109.0° | 109.5° |
| C2 | C4 | H8 | 109.0° | 109.5° |
| C4 | C2 | H3 | 108.7° | 109.5° |
| C46 | C45 | C5 | 116.3° | 109.4° |
| C46 | C45 | H70 | 107.7° | 109.4° |
| C46 | C45 | H71 | 107.7° | 109.4° |
| C45 | C46 | H72 | 109.1° | 109.5° |
| C45 | C46 | H73 | 109.2° | 109.5° |
| C4 | C5 | C45 | 113.7° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.5° |
| C5 | C4 | H7 | 109.0° | 109.5° |
| C5 | C4 | H8 | 109.0° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C45 | C5 | C6 | 104.3° | 109.4° |
| C45 | C5 | H9 | 109.3° | 109.5° |
| C5 | C45 | H70 | 107.7° | 109.5° |
| C5 | C45 | H71 | 107.7° | 109.5° |
| C5 | C6 | C7 | 125.3° | 120.0° |
| C6 | C5 | H9 | 108.9° | 109.4° |
| C5 | C6 | H10 | 117.3° | 120.0° |
| C6 | C7 | C8 | 123.7° | 120.0° |
| C6 | C7 | C9 | 117.9° | 120.0° |
| C7 | C6 | H10 | 117.3° | 120.0° |
| C43 | C42 | O12 | 116.7° | 120.0° |
| C43 | C42 | N3 | 121.8° | 120.0° |
| C42 | C43 | H65 | 109.5° | 109.5° |
| C42 | C43 | H64 | 109.4° | 109.5° |
| C42 | C43 | H66 | 109.5° | 109.5° |
| O6 | C18 | C19 | 109.4° | 109.6° |
| O6 | C18 | C17 | 111.8° | 109.9° |
| O6 | C18 | H25 | 110.6° | 107.9° |
| C18 | O6 | H26 | 109.5° | 114.0° |
| C8 | C7 | C9 | 118.4° | 120.0° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.4° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C9 | C17 | 110.8° | 108.4° |
| C7 | C9 | O3 | 108.5° | 109.1° |
| C7 | C9 | H14 | 108.2° | 109.8° |
| O5 | C10 | O3 | 122.6° | 121.3° |
| O5 | C10 | C11 | 119.3° | 119.7° |
| C19 | C18 | C17 | 109.2° | 111.8° |
| C18 | C19 | C20 | 111.5° | 110.5° |
| C19 | C18 | H25 | 107.9° | 109.2° |
| C18 | C19 | H27 | 109.0° | 110.1° |
| C18 | C19 | H28 | 108.9° | 110.3° |
| C18 | C17 | C9 | 107.5° | 111.3° |
| C18 | C17 | C44 | 112.3° | 111.7° |
| C18 | C17 | H24 | 109.2° | 108.4° |
| C17 | C18 | H25 | 108.0° | 108.3° |
| O12 | C42 | N3 | 121.6° | 120.0° |
| C42 | N3 | N2 | 119.8° | 120.0° |
| C42 | N3 | H63 | 120.1° | 120.0° |
| C17 | C9 | O3 | 111.1° | 109.5° |
| C9 | C17 | C44 | 108.4° | 109.4° |
| C17 | C9 | H14 | 108.2° | 110.4° |
| C9 | C17 | H24 | 109.7° | 107.6° |
| C9 | O3 | C10 | 111.8° | 119.9° |
| O3 | C9 | H14 | 109.9° | 109.6° |
| O3 | C10 | C11 | 118.1° | 119.0° |
| C10 | C11 | C16 | 109.8° | 109.3° |
| C10 | C11 | N1 | 112.2° | 111.6° |
| C10 | C11 | H15 | 108.4° | 109.1° |
| C19 | C20 | N2 | 116.8° | 120.6° |
| C19 | C20 | C21 | 116.6° | 119.3° |
| C20 | C19 | H27 | 108.9° | 108.5° |
| C20 | C19 | H28 | 109.0° | 107.0° |
| N3 | N2 | C20 | 132.3° | 120.0° |
| N2 | N3 | H63 | 120.1° | 120.0° |
| N2 | C20 | C21 | 126.6° | 120.1° |
| C41 | C40 | C39 | 120.8° | 120.0° |
| C41 | C40 | H60 | 119.6° | 120.1° |
| C40 | C41 | H62 | 120.0° | 119.9° |
| C40 | C41 | H61 | 120.0° | 120.0° |
| C40 | C39 | C21 | 109.3° | 109.5° |
| C40 | C39 | H59 | 109.5° | 109.5° |
| C40 | C39 | H58 | 109.5° | 109.5° |
| C39 | C40 | H60 | 119.6° | 120.0° |
| C44 | C17 | H24 | 109.8° | 108.3° |
| C17 | C44 | H68 | 109.5° | 109.5° |
| C17 | C44 | H69 | 109.5° | 109.5° |
| C17 | C44 | H67 | 109.4° | 109.4° |
| C20 | C21 | C39 | 112.7° | 108.8° |
| C20 | C21 | C22 | 105.2° | 108.6° |
| C20 | C21 | H29 | 108.6° | 109.2° |
| C16 | C11 | N1 | 110.0° | 108.8° |
| C11 | C16 | C15 | 112.2° | 108.6° |
| C16 | C11 | H15 | 108.4° | 109.1° |
| C11 | C16 | H22 | 108.8° | 109.9° |
| C11 | C16 | H23 | 108.8° | 109.4° |
| C11 | N1 | C12 | 120.8° | 120.5° |
| C11 | N1 | C13 | 114.5° | 117.3° |
| N1 | C11 | H15 | 107.9° | 109.0° |
| C16 | C15 | C14 | 113.8° | 109.5° |
| C16 | C15 | H21 | 108.4° | 109.3° |
| C16 | C15 | H20 | 108.4° | 109.7° |
| C15 | C16 | H22 | 108.8° | 109.8° |
| C15 | C16 | H23 | 108.8° | 109.6° |
| O4 | C12 | N1 | 122.1° | 118.6° |
| O4 | C12 | C37 | 121.0° | 117.3° |
| C39 | C21 | C22 | 111.4° | 109.8° |
| C39 | C21 | H29 | 109.5° | 109.6° |
| C21 | C39 | H59 | 109.5° | 109.5° |
| C21 | C39 | H58 | 109.5° | 109.4° |
| C21 | C22 | C23 | 124.5° | 123.5° |
| C22 | C21 | H29 | 109.4° | 110.8° |
| C21 | C22 | H30 | 117.8° | 117.6° |
| C12 | N1 | C13 | 124.6° | 122.2° |
| N1 | C12 | C37 | 116.9° | 124.1° |
| N1 | C13 | C14 | 109.8° | 110.4° |
| N1 | C13 | H16 | 109.4° | 111.1° |
| N1 | C13 | H17 | 109.4° | 108.4° |
| C15 | C14 | C13 | 112.2° | 111.0° |
| C15 | C14 | H19 | 108.8° | 109.0° |
| C15 | C14 | H18 | 108.8° | 109.6° |
| C14 | C15 | H21 | 108.4° | 109.5° |
| C14 | C15 | H20 | 108.4° | 109.7° |
| C35 | C34 | C33 | 109.8° | 108.5° |
| C35 | C34 | C36 | 108.5° | 109.4° |
| C35 | C34 | H50 | 108.2° | 109.2° |
| C34 | C35 | H52 | 109.5° | 109.5° |
| C34 | C35 | H53 | 109.5° | 109.5° |
| C34 | C35 | H51 | 109.5° | 109.5° |
| C32 | O8 | C31 | 111.7° | 114.0° |
| O8 | C32 | H45 | 109.5° | 109.4° |
| O8 | C32 | H47 | 109.5° | 109.4° |
| O8 | C32 | H46 | 109.5° | 109.5° |
| C12 | C37 | C36 | 119.1° | 120.1° |
| C12 | C37 | O11 | 117.3° | 120.9° |
| C33 | C34 | C36 | 112.0° | 110.6° |
| C34 | C33 | C31 | 114.2° | 110.0° |
| C34 | C33 | H48 | 108.3° | 109.7° |
| C34 | C33 | H49 | 108.3° | 109.4° |
| C33 | C34 | H50 | 109.2° | 109.4° |
| C34 | C36 | C37 | 113.0° | 110.0° |
| C34 | C36 | O9 | 111.3° | 110.2° |
| C34 | C36 | O10 | 110.5° | 109.1° |
| C36 | C34 | H50 | 108.9° | 109.8° |
| C33 | C31 | O8 | 110.0° | 109.2° |
| C33 | C31 | C30 | 110.0° | 108.4° |
| C33 | C31 | H44 | 110.7° | 110.0° |
| C31 | C33 | H48 | 108.3° | 109.5° |
| C31 | C33 | H49 | 108.3° | 109.3° |
| C22 | C23 | C38 | 123.3° | 121.4° |
| C22 | C23 | C24 | 118.0° | 119.7° |
| C23 | C22 | H30 | 117.7° | 118.9° |
| O8 | C31 | C30 | 105.5° | 109.5° |
| O8 | C31 | H44 | 110.8° | 109.9° |
| C31 | C30 | O9 | 109.1° | 108.4° |
| C31 | C30 | C28 | 119.0° | 110.2° |
| C31 | C30 | H43 | 107.8° | 108.6° |
| C30 | C31 | H44 | 109.7° | 109.8° |
| C13 | C14 | H19 | 108.8° | 108.9° |
| C13 | C14 | H18 | 108.8° | 109.4° |
| C14 | C13 | H16 | 109.4° | 109.2° |
| C14 | C13 | H17 | 109.4° | 108.7° |
| C38 | C23 | C24 | 118.8° | 118.9° |
| C23 | C38 | H57 | 109.5° | 109.5° |
| C23 | C38 | H55 | 109.4° | 109.5° |
| C23 | C38 | H56 | 109.4° | 109.5° |
| C36 | C37 | O11 | 123.5° | 119.0° |
| C37 | C36 | O9 | 105.1° | 109.2° |
| C37 | C36 | O10 | 109.0° | 108.9° |
| C23 | C24 | C25 | 110.3° | 110.1° |
| C23 | C24 | H31 | 109.3° | 109.2° |
| C23 | C24 | H32 | 109.3° | 109.3° |
| O9 | C36 | O10 | 107.7° | 109.4° |
| C36 | O9 | C30 | 115.6° | 114.1° |
| C36 | O10 | H54 | 109.5° | 114.0° |
| C25 | C27 | C28 | 113.3° | 111.6° |
| C27 | C25 | C24 | 110.1° | 109.3° |
| C27 | C25 | C26 | 111.2° | 110.2° |
| C27 | C25 | H33 | 108.5° | 110.0° |
| C25 | C27 | H37 | 108.5° | 109.4° |
| C25 | C27 | H38 | 108.5° | 109.6° |
| C27 | C28 | C30 | 109.1° | 110.3° |
| C27 | C28 | O7 | 111.5° | 110.6° |
| C28 | C27 | H37 | 108.5° | 108.7° |
| C28 | C27 | H38 | 108.5° | 109.5° |
| C27 | C28 | H39 | 108.6° | 108.9° |
| O9 | C30 | C28 | 104.0° | 109.9° |
| O9 | C30 | H43 | 108.6° | 109.8° |
| C30 | C28 | O7 | 108.5° | 110.0° |
| C30 | C28 | H39 | 108.9° | 108.7° |
| C28 | C30 | H43 | 108.0° | 109.9° |
| C24 | C25 | C26 | 109.0° | 108.8° |
| C25 | C24 | H31 | 109.3° | 108.4° |
| C25 | C24 | H32 | 109.2° | 109.3° |
| C24 | C25 | H33 | 108.8° | 108.8° |
| C26 | C25 | H33 | 109.3° | 109.7° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C28 | O7 | C29 | 115.7° | 114.0° |
| O7 | C28 | H39 | 110.2° | 108.3° |
| O7 | C29 | H40 | 109.5° | 109.4° |
| O7 | C29 | H42 | 109.4° | 109.5° |
| O7 | C29 | H41 | 109.4° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H19 | C14 | H18 | 109.5° | 108.8° |
| H13 | C8 | H12 | 109.5° | 109.4° |
| H13 | C8 | H11 | 109.5° | 109.5° |
| H12 | C8 | H11 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.0° |
| H6 | C3 | H4 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H21 | C15 | H20 | 109.5° | 109.1° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 110.3° |
| H31 | C24 | H32 | 109.5° | 110.6° |
| H36 | C26 | H34 | 109.4° | 109.4° |
| H36 | C26 | H35 | 109.5° | 109.4° |
| H34 | C26 | H35 | 109.5° | 109.4° |
| H37 | C27 | H38 | 109.5° | 107.9° |
| H40 | C29 | H42 | 109.5° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H42 | C29 | H41 | 109.5° | 109.5° |
| H45 | C32 | H47 | 109.5° | 109.5° |
| H45 | C32 | H46 | 109.5° | 109.5° |
| H47 | C32 | H46 | 109.4° | 109.5° |
| H48 | C33 | H49 | 109.4° | 108.9° |
| H52 | C35 | H53 | 109.4° | 109.5° |
| H52 | C35 | H51 | 109.5° | 109.4° |
| H53 | C35 | H51 | 109.5° | 109.5° |
| H57 | C38 | H55 | 109.5° | 109.5° |
| H57 | C38 | H56 | 109.4° | 109.5° |
| H55 | C38 | H56 | 109.5° | 109.4° |
| H59 | C39 | H58 | 109.4° | 109.4° |
| H62 | C41 | H61 | 120.0° | 120.0° |
| H65 | C43 | H64 | 109.5° | 109.5° |
| H65 | C43 | H66 | 109.5° | 109.5° |
| H64 | C43 | H66 | 109.4° | 109.4° |
| H68 | C44 | H69 | 109.5° | 109.5° |
| H68 | C44 | H67 | 109.5° | 109.5° |
| H69 | C44 | H67 | 109.5° | 109.5° |
| H70 | C45 | H71 | 109.5° | 109.5° |
| H72 | C46 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 56.2° | 60.1° |
| O1 | C1 | C2 | C46 | 121.2° | 120.0° |
| O1 | C1 | C2 | H2 | 120.1° | 120.1° |
| O1 | C1 | C46 | H2 | 120.7° | 120.0° |
| O1 | C1 | C2 | C4 | 175.6° | 180.0° |
| O1 | C1 | C46 | C45 | 176.5° | 180.0° |
| O1 | C1 | C2 | H3 | 64.7° | 60.0° |
| O1 | C1 | C46 | H72 | 56.3° | 60.0° |
| O1 | C1 | C46 | H73 | 63.3° | 60.0° |
| C3 | O2 | C2 | C1 | 158.6° | 90.0° |
| C3 | O2 | C2 | C4 | 80.3° | 150.0° |
| O2 | C3 | H6 | H4 | 120.0° | 120.0° |
| O2 | C3 | H6 | H5 | 120.0° | 119.9° |
| O2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | O2 | C2 | H3 | 38.6° | 30.0° |
| O2 | C2 | C1 | C4 | 119.4° | 120.0° |
| O2 | C2 | C1 | H3 | 121.0° | 120.0° |
| O2 | C2 | C1 | C46 | 177.4° | 179.9° |
| O2 | C2 | C4 | H3 | 119.9° | 120.0° |
| O2 | C2 | C4 | C5 | 177.8° | 179.9° |
| O2 | C2 | C4 | H7 | 57.5° | 60.0° |
| O2 | C2 | C4 | H8 | 61.9° | 60.0° |
| C2 | O2 | C3 | H6 | 180.0° | 60.1° |
| C2 | O2 | C3 | H4 | 60.0° | 59.9° |
| C2 | O2 | C3 | H5 | 60.0° | 180.0° |
| O2 | C2 | C1 | H2 | 63.9° | 60.0° |
| C2 | C1 | C46 | H2 | 118.7° | 120.0° |
| C1 | C2 | C4 | H3 | 119.7° | 120.0° |
| C2 | C1 | C46 | C45 | 55.9° | 60.0° |
| C1 | C2 | C4 | C5 | 57.5° | 60.0° |
| C1 | C2 | C4 | H7 | 62.8° | 180.0° |
| C1 | C2 | C4 | H8 | 177.8° | 60.0° |
| C2 | C1 | C46 | H72 | 64.3° | 60.0° |
| C2 | C1 | C46 | H73 | 176.1° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| C46 | C1 | C2 | C4 | 63.2° | 60.0° |
| C1 | C46 | C45 | H72 | 120.2° | 120.0° |
| C1 | C46 | C45 | H73 | 120.2° | 120.0° |
| C1 | C46 | C45 | C5 | 45.8° | 60.0° |
| C46 | C1 | C2 | H3 | 56.5° | 60.0° |
| C1 | C46 | C45 | H70 | 166.8° | 60.0° |
| C1 | C46 | C45 | H71 | 75.2° | 180.0° |
| C1 | C46 | H72 | H73 | 119.4° | 120.0° |
| C46 | C1 | O1 | H1 | 58.9° | 60.0° |
| C2 | C4 | C5 | H7 | 120.3° | 120.1° |
| C2 | C4 | C5 | H8 | 120.3° | 120.0° |
| C2 | C4 | C5 | C45 | 45.6° | 60.0° |
| C2 | C4 | C5 | C6 | 162.8° | 180.0° |
| C2 | C4 | H7 | H8 | 119.1° | 120.0° |
| C2 | C4 | C5 | H9 | 77.0° | 60.1° |
| C4 | C2 | C1 | H2 | 55.5° | 59.9° |
| C46 | C45 | C5 | C4 | 41.1° | 60.0° |
| C46 | C45 | C5 | H70 | 121.0° | 120.0° |
| C46 | C45 | C5 | H71 | 121.0° | 120.0° |
| C46 | C45 | C5 | C6 | 162.0° | 180.0° |
| C46 | C45 | C5 | H9 | 81.6° | 60.0° |
| C45 | C46 | C1 | H2 | 62.8° | 60.0° |
| C46 | C45 | H70 | H71 | 116.9° | 119.9° |
| C45 | C46 | H72 | H73 | 119.4° | 120.0° |
| C4 | C5 | C45 | C6 | 121.0° | 120.0° |
| C4 | C5 | C45 | H9 | 122.7° | 120.0° |
| C4 | C5 | C6 | H9 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 141.5° | 112.0° |
| C5 | C4 | H7 | H8 | 119.1° | 120.0° |
| C4 | C5 | C6 | H10 | 38.5° | 67.9° |
| C5 | C4 | C2 | H3 | 62.3° | 60.0° |
| C4 | C5 | C45 | H70 | 162.1° | 60.0° |
| C4 | C5 | C45 | H71 | 79.9° | 180.0° |
| C45 | C5 | C6 | H9 | 116.6° | 120.0° |
| C45 | C5 | C6 | C7 | 95.7° | 127.9° |
| C45 | C5 | C4 | H7 | 74.7° | 179.9° |
| C45 | C5 | C4 | H8 | 165.9° | 60.0° |
| C45 | C5 | C6 | H10 | 84.3° | 52.1° |
| C5 | C45 | H70 | H71 | 116.9° | 120.1° |
| C5 | C45 | C46 | H72 | 74.5° | 60.0° |
| C5 | C45 | C46 | H73 | 166.0° | 179.9° |
| C5 | C6 | C7 | H10 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 2.3° | 3.9° |
| C5 | C6 | C7 | C9 | 177.2° | 176.1° |
| C6 | C5 | C4 | H7 | 42.5° | 60.0° |
| C6 | C5 | C4 | H8 | 76.9° | 60.0° |
| C6 | C5 | C45 | H70 | 77.0° | 60.0° |
| C6 | C5 | C45 | H71 | 41.1° | 60.0° |
| C6 | C7 | C8 | C9 | 179.4° | 180.0° |
| C6 | C7 | C9 | C17 | 116.9° | 115.0° |
| C6 | C7 | C9 | O3 | 120.8° | 125.9° |
| C7 | C6 | C5 | H9 | 20.9° | 8.0° |
| C6 | C7 | C8 | H13 | 180.0° | 84.1° |
| C6 | C7 | C8 | H12 | 60.0° | 155.9° |
| C6 | C7 | C8 | H11 | 60.0° | 35.9° |
| C6 | C7 | C9 | H14 | 1.6° | 5.7° |
| C43 | C42 | O12 | N3 | 179.9° | 180.0° |
| C43 | C42 | N3 | N2 | 0.2° | 180.0° |
| C43 | C42 | N3 | H63 | 179.8° | 0.1° |
| C42 | C43 | H65 | H64 | 120.0° | 120.0° |
| C42 | C43 | H65 | H66 | 120.0° | 120.0° |
| C42 | C43 | H64 | H66 | 120.0° | 120.0° |
| O6 | C18 | C19 | C17 | 122.6° | 122.1° |
| O6 | C18 | C19 | H25 | 120.3° | 118.1° |
| O6 | C18 | C17 | H25 | 121.8° | 117.7° |
| O6 | C18 | C17 | C9 | 58.5° | 30.1° |
| O6 | C18 | C19 | C20 | 153.9° | 53.0° |
| O6 | C18 | C17 | C44 | 60.6° | 152.7° |
| O6 | C18 | C17 | H24 | 177.4° | 88.0° |
| O6 | C18 | C19 | H27 | 33.6° | 66.8° |
| O6 | C18 | C19 | H28 | 85.8° | 171.2° |
| C8 | C7 | C9 | C17 | 62.6° | 65.0° |
| C8 | C7 | C9 | O3 | 59.7° | 54.2° |
| C8 | C7 | C6 | H10 | 177.7° | 176.1° |
| C7 | C8 | H13 | H12 | 120.0° | 120.0° |
| C7 | C8 | H13 | H11 | 120.0° | 120.0° |
| C7 | C8 | H12 | H11 | 120.0° | 120.0° |
| C8 | C7 | C9 | H14 | 178.9° | 174.3° |
| C7 | C9 | C17 | C18 | 53.5° | 103.4° |
| C7 | C9 | C17 | O3 | 120.7° | 119.0° |
| C7 | C9 | C17 | H14 | 118.5° | 120.4° |
| C7 | C9 | O3 | H14 | 118.2° | 120.3° |
| C7 | C9 | O3 | C10 | 99.4° | 66.9° |
| C7 | C9 | C17 | C44 | 175.0° | 132.7° |
| C9 | C7 | C6 | H10 | 2.8° | 4.0° |
| C9 | C7 | C8 | H13 | 0.6° | 95.9° |
| C9 | C7 | C8 | H12 | 120.6° | 24.1° |
| C9 | C7 | C8 | H11 | 119.4° | 144.2° |
| C7 | C9 | C17 | H24 | 65.2° | 15.2° |
| O5 | C10 | O3 | C9 | 2.3° | 0.9° |
| O5 | C10 | O3 | C11 | 179.3° | 179.8° |
| O5 | C10 | C11 | C16 | 55.5° | 91.3° |
| O5 | C10 | C11 | N1 | 178.2° | 29.1° |
| O5 | C10 | C11 | H15 | 62.8° | 149.5° |
| C19 | C18 | C17 | H25 | 117.0° | 120.3° |
| C19 | C18 | C17 | C9 | 179.6° | 91.8° |
| C18 | C19 | C20 | H27 | 120.3° | 120.8° |
| C18 | C19 | C20 | H28 | 120.3° | 120.2° |
| C18 | C19 | C20 | N2 | 19.4° | 25.4° |
| C19 | C18 | C17 | C44 | 60.6° | 30.8° |
| C18 | C19 | C20 | C21 | 159.3° | 155.2° |
| C19 | C18 | C17 | H24 | 61.5° | 150.0° |
| C18 | C19 | H27 | H28 | 119.0° | 122.0° |
| C19 | C18 | O6 | H26 | 180.0° | 60.0° |
| C18 | C17 | C9 | C44 | 121.6° | 123.9° |
| C18 | C17 | C9 | H24 | 118.6° | 118.6° |
| C18 | C17 | C9 | O3 | 174.2° | 137.6° |
| C17 | C18 | C19 | C20 | 83.5° | 175.2° |
| C18 | C17 | C44 | H24 | 121.7° | 119.3° |
| C18 | C17 | C9 | H14 | 65.0° | 16.9° |
| C17 | C18 | C19 | H27 | 156.2° | 55.3° |
| C17 | C18 | C19 | H28 | 36.8° | 66.7° |
| C18 | C17 | C44 | H68 | 180.0° | 176.3° |
| C18 | C17 | C44 | H69 | 60.0° | 56.3° |
| C18 | C17 | C44 | H67 | 60.0° | 63.6° |
| C17 | C18 | O6 | H26 | 58.9° | 176.8° |
| O12 | C42 | N3 | N2 | 179.9° | 0.1° |
| O12 | C42 | N3 | H63 | 0.1° | 180.0° |
| O12 | C42 | C43 | H65 | 0.0° | 90.0° |
| O12 | C42 | C43 | H64 | 120.0° | 150.0° |
| O12 | C42 | C43 | H66 | 120.0° | 30.0° |
| C42 | N3 | N2 | H63 | 180.0° | 179.9° |
| C42 | N3 | N2 | C20 | 169.0° | 174.6° |
| N3 | C42 | C43 | H65 | 179.9° | 90.0° |
| N3 | C42 | C43 | H64 | 60.0° | 30.0° |
| N3 | C42 | C43 | H66 | 59.9° | 149.9° |
| C17 | C9 | O3 | H14 | 119.8° | 121.2° |
| C17 | C9 | O3 | C10 | 138.5° | 174.5° |
| C9 | C17 | C44 | H24 | 119.7° | 117.0° |
| C9 | C17 | C18 | H25 | 63.4° | 147.9° |
| C9 | C17 | C44 | H68 | 61.4° | 60.0° |
| C9 | C17 | C44 | H69 | 178.5° | 180.0° |
| C9 | C17 | C44 | H67 | 58.5° | 60.0° |
| C9 | O3 | C10 | C11 | 178.3° | 179.3° |
| O3 | C9 | C17 | C44 | 64.2° | 13.7° |
| O3 | C9 | C17 | H24 | 55.6° | 103.7° |
| O3 | C10 | C11 | C16 | 125.1° | 88.5° |
| O3 | C10 | C11 | N1 | 2.5° | 151.2° |
| O3 | C10 | C11 | H15 | 116.6° | 30.7° |
| C10 | O3 | C9 | H14 | 18.8° | 53.3° |
| C10 | C11 | C16 | N1 | 124.0° | 122.0° |
| C10 | C11 | C16 | H15 | 118.2° | 119.2° |
| C10 | C11 | N1 | H15 | 119.3° | 120.5° |
| C10 | C11 | C16 | C15 | 72.7° | 81.5° |
| C10 | C11 | N1 | C12 | 110.2° | 36.7° |
| C10 | C11 | N1 | C13 | 72.9° | 143.8° |
| C10 | C11 | C16 | H22 | 47.7° | 38.6° |
| C10 | C11 | C16 | H23 | 166.9° | 158.9° |
| C19 | C20 | N2 | N3 | 178.4° | 178.1° |
| C19 | C20 | N2 | C21 | 178.6° | 179.4° |
| C19 | C20 | C21 | C39 | 149.0° | 42.4° |
| C19 | C20 | C21 | C22 | 89.4° | 77.0° |
| C20 | C19 | C18 | H25 | 33.6° | 65.0° |
| C20 | C19 | H27 | H28 | 119.1° | 116.9° |
| C19 | C20 | C21 | H29 | 27.5° | 162.0° |
| N3 | N2 | C20 | C21 | 3.1° | 1.4° |
| N2 | C20 | C21 | C39 | 32.5° | 137.0° |
| N2 | C20 | C21 | C22 | 89.1° | 103.6° |
| C20 | N2 | N3 | H63 | 11.0° | 5.5° |
| N2 | C20 | C19 | H27 | 100.9° | 146.2° |
| N2 | C20 | C19 | H28 | 139.7° | 94.8° |
| N2 | C20 | C21 | H29 | 153.9° | 17.4° |
| C41 | C40 | C39 | H60 | 180.0° | 180.0° |
| C41 | C40 | C39 | C21 | 125.6° | 123.1° |
| C41 | C40 | C39 | H59 | 114.4° | 3.1° |
| C41 | C40 | C39 | H58 | 5.6° | 116.9° |
| C40 | C41 | H62 | H61 | 180.0° | 179.9° |
| C40 | C39 | C21 | C20 | 53.1° | 65.5° |
| C40 | C39 | C21 | H59 | 120.0° | 120.1° |
| C40 | C39 | C21 | H58 | 120.0° | 120.0° |
| C40 | C39 | C21 | C22 | 171.0° | 175.7° |
| C40 | C39 | C21 | H29 | 67.8° | 53.8° |
| C40 | C39 | H59 | H58 | 120.1° | 120.0° |
| C39 | C40 | C41 | H62 | 180.0° | 180.0° |
| C39 | C40 | C41 | H61 | 0.0° | 0.1° |
| C44 | C17 | C9 | H14 | 56.5° | 107.0° |
| C44 | C17 | C18 | H25 | 177.6° | 89.5° |
| C17 | C44 | H68 | H69 | 120.0° | 120.0° |
| C17 | C44 | H68 | H67 | 120.0° | 120.0° |
| C17 | C44 | H69 | H67 | 120.0° | 120.0° |
| C20 | C21 | C39 | C22 | 118.0° | 118.7° |
| C20 | C21 | C39 | H29 | 120.9° | 119.3° |
| C20 | C21 | C22 | H29 | 116.4° | 120.0° |
| C20 | C21 | C22 | C23 | 99.4° | 165.0° |
| C21 | C20 | C19 | H27 | 80.4° | 34.4° |
| C21 | C20 | C19 | H28 | 39.0° | 84.6° |
| C20 | C21 | C22 | H30 | 80.6° | 13.5° |
| C20 | C21 | C39 | H59 | 66.9° | 174.4° |
| C20 | C21 | C39 | H58 | 173.1° | 54.5° |
| C16 | C11 | N1 | H15 | 118.1° | 118.8° |
| C11 | C16 | C15 | H22 | 120.4° | 120.2° |
| C11 | C16 | C15 | H23 | 120.4° | 119.5° |
| C16 | C11 | N1 | C12 | 127.3° | 157.4° |
| C16 | C11 | N1 | C13 | 49.6° | 23.2° |
| C11 | C16 | C15 | C14 | 57.0° | 69.7° |
| C11 | C16 | C15 | H21 | 63.6° | 170.3° |
| C11 | C16 | C15 | H20 | 177.7° | 50.8° |
| C11 | C16 | H22 | H23 | 118.8° | 120.2° |
| N1 | C11 | C16 | C15 | 51.3° | 40.6° |
| C11 | N1 | C12 | O4 | 2.6° | 1.5° |
| C11 | N1 | C12 | C13 | 176.6° | 179.4° |
| C11 | N1 | C12 | C37 | 177.9° | 179.2° |
| C11 | N1 | C13 | C14 | 50.0° | 61.7° |
| C11 | N1 | C13 | H16 | 170.0° | 177.0° |
| C11 | N1 | C13 | H17 | 70.1° | 57.3° |
| N1 | C11 | C16 | H22 | 171.7° | 160.7° |
| N1 | C11 | C16 | H23 | 69.1° | 79.0° |
| C16 | C15 | C14 | H21 | 120.6° | 119.8° |
| C16 | C15 | C14 | H20 | 120.7° | 120.5° |
| C16 | C15 | C14 | C13 | 57.5° | 31.1° |
| C16 | C15 | C14 | H19 | 177.9° | 88.9° |
| C16 | C15 | C14 | H18 | 62.9° | 152.1° |
| C15 | C16 | C11 | H15 | 169.1° | 159.3° |
| C16 | C15 | H21 | H20 | 118.1° | 119.9° |
| C15 | C16 | H22 | H23 | 118.8° | 120.4° |
| O4 | C12 | N1 | C37 | 179.5° | 177.7° |
| O4 | C12 | N1 | C13 | 179.2° | 177.9° |
| O4 | C12 | C37 | C36 | 93.1° | 23.7° |
| O4 | C12 | C37 | O11 | 89.9° | 153.9° |
| C39 | C21 | C22 | H29 | 121.2° | 121.2° |
| C39 | C21 | C22 | C23 | 138.2° | 76.2° |
| C39 | C21 | C22 | H30 | 41.8° | 105.3° |
| C21 | C39 | H59 | H58 | 120.1° | 120.0° |
| C21 | C39 | C40 | H60 | 54.4° | 56.9° |
| C21 | C22 | C23 | H30 | 180.0° | 178.5° |
| C21 | C22 | C23 | C38 | 0.8° | 1.8° |
| C21 | C22 | C23 | C24 | 178.6° | 179.1° |
| C22 | C21 | C39 | H59 | 51.1° | 55.7° |
| C22 | C21 | C39 | H58 | 69.0° | 64.3° |
| C12 | N1 | C13 | C14 | 126.8° | 118.8° |
| N1 | C12 | C37 | C36 | 86.4° | 158.6° |
| N1 | C12 | C37 | O11 | 90.6° | 23.8° |
| C12 | N1 | C11 | H15 | 9.1° | 83.8° |
| C12 | N1 | C13 | H16 | 6.8° | 2.5° |
| C12 | N1 | C13 | H17 | 113.1° | 122.2° |
| N1 | C13 | C14 | C15 | 52.3° | 29.5° |
| C13 | N1 | C12 | C37 | 1.4° | 0.2° |
| N1 | C13 | C14 | H16 | 120.0° | 122.4° |
| N1 | C13 | C14 | H17 | 120.1° | 118.8° |
| N1 | C13 | C14 | H19 | 172.7° | 149.6° |
| N1 | C13 | C14 | H18 | 68.1° | 91.6° |
| C13 | N1 | C11 | H15 | 167.8° | 95.7° |
| N1 | C13 | H16 | H17 | 119.9° | 119.4° |
| C15 | C14 | C13 | H19 | 120.4° | 120.0° |
| C15 | C14 | C13 | H18 | 120.4° | 121.1° |
| C15 | C14 | H19 | H18 | 118.8° | 119.5° |
| C15 | C14 | C13 | H16 | 172.3° | 151.9° |
| C15 | C14 | C13 | H17 | 67.8° | 89.3° |
| C14 | C15 | H21 | H20 | 118.0° | 120.1° |
| C14 | C15 | C16 | H22 | 177.4° | 170.1° |
| C14 | C15 | C16 | H23 | 63.4° | 49.8° |
| C35 | C34 | C33 | C36 | 120.6° | 119.9° |
| C35 | C34 | C33 | H50 | 118.6° | 119.0° |
| C35 | C34 | C36 | H50 | 117.6° | 119.8° |
| C35 | C34 | C33 | C31 | 170.7° | 173.2° |
| C35 | C34 | C36 | C37 | 74.4° | 67.5° |
| C35 | C34 | C36 | O9 | 167.7° | 172.1° |
| C35 | C34 | C36 | O10 | 48.1° | 51.9° |
| C35 | C34 | C33 | H48 | 49.9° | 66.3° |
| C35 | C34 | C33 | H49 | 68.6° | 53.2° |
| C34 | C35 | H52 | H53 | 120.0° | 120.0° |
| C34 | C35 | H52 | H51 | 120.0° | 120.0° |
| C34 | C35 | H53 | H51 | 120.0° | 120.0° |
| C32 | O8 | C31 | C33 | 77.8° | 91.5° |
| C32 | O8 | C31 | C30 | 163.6° | 150.0° |
| C32 | O8 | C31 | H44 | 44.9° | 29.3° |
| O8 | C32 | H45 | H47 | 120.0° | 119.9° |
| O8 | C32 | H45 | H46 | 120.0° | 120.0° |
| O8 | C32 | H47 | H46 | 120.0° | 120.0° |
| C12 | C37 | C36 | C34 | 30.0° | 162.2° |
| C12 | C37 | C36 | O11 | 176.9° | 177.6° |
| C12 | C37 | C36 | O9 | 91.5° | 76.8° |
| C12 | C37 | C36 | O10 | 153.3° | 42.7° |
| C33 | C34 | C36 | H50 | 121.0° | 120.8° |
| C34 | C33 | C31 | H48 | 120.7° | 120.6° |
| C34 | C33 | C31 | H49 | 120.7° | 120.1° |
| C34 | C33 | C31 | O8 | 170.7° | 176.3° |
| C34 | C33 | C31 | C30 | 54.9° | 57.0° |
| C33 | C34 | C36 | C37 | 164.2° | 173.1° |
| C33 | C34 | C36 | O9 | 46.3° | 52.7° |
| C33 | C34 | C36 | O10 | 73.3° | 67.5° |
| C34 | C33 | C31 | H44 | 66.5° | 63.0° |
| C34 | C33 | H48 | H49 | 117.8° | 119.8° |
| C33 | C34 | C35 | H52 | 180.0° | 60.0° |
| C33 | C34 | C35 | H53 | 60.0° | 180.0° |
| C33 | C34 | C35 | H51 | 60.0° | 60.0° |
| C36 | C34 | C33 | C31 | 50.0° | 53.3° |
| C34 | C36 | C37 | O9 | 121.5° | 121.1° |
| C34 | C36 | C37 | O10 | 123.3° | 119.5° |
| C34 | C36 | C37 | O11 | 153.1° | 20.2° |
| C34 | C36 | O9 | O10 | 121.2° | 120.0° |
| C34 | C36 | O9 | C30 | 52.5° | 59.5° |
| C36 | C34 | C33 | H48 | 70.7° | 173.8° |
| C36 | C34 | C33 | H49 | 170.8° | 66.8° |
| C36 | C34 | C35 | H52 | 57.3° | 60.7° |
| C36 | C34 | C35 | H53 | 177.2° | 59.3° |
| C36 | C34 | C35 | H51 | 62.7° | 179.3° |
| C34 | C36 | O10 | H54 | 136.7° | 180.0° |
| C33 | C31 | O8 | C30 | 118.6° | 118.5° |
| C33 | C31 | O8 | H44 | 122.7° | 120.7° |
| C33 | C31 | C30 | H44 | 122.0° | 120.1° |
| C33 | C31 | C30 | O9 | 56.4° | 60.7° |
| C33 | C31 | C30 | C28 | 175.4° | 179.0° |
| C33 | C31 | C30 | H43 | 61.3° | 58.5° |
| C31 | C33 | H48 | H49 | 117.9° | 119.5° |
| C31 | C33 | C34 | H50 | 70.8° | 67.8° |
| C22 | C23 | C38 | C24 | 179.4° | 179.1° |
| C22 | C23 | C24 | C25 | 101.4° | 73.0° |
| C23 | C22 | C21 | H29 | 17.0° | 45.0° |
| C22 | C23 | C24 | H31 | 18.8° | 168.0° |
| C22 | C23 | C24 | H32 | 138.5° | 47.0° |
| C22 | C23 | C38 | H57 | 180.0° | 5.2° |
| C22 | C23 | C38 | H55 | 60.0° | 125.2° |
| C22 | C23 | C38 | H56 | 60.0° | 114.8° |
| O8 | C31 | C30 | H44 | 119.4° | 120.8° |
| O8 | C31 | C30 | O9 | 175.0° | 179.8° |
| O8 | C31 | C30 | C28 | 66.0° | 59.9° |
| O8 | C31 | C30 | H43 | 57.3° | 60.5° |
| C31 | O8 | C32 | H45 | 180.0° | 180.0° |
| C31 | O8 | C32 | H47 | 60.0° | 60.0° |
| C31 | O8 | C32 | H46 | 60.0° | 60.0° |
| O8 | C31 | C33 | H48 | 50.0° | 63.1° |
| O8 | C31 | C33 | H49 | 68.5° | 56.1° |
| C31 | C30 | O9 | C36 | 57.3° | 63.7° |
| C31 | C30 | C28 | C27 | 40.0° | 119.5° |
| C31 | C30 | O9 | C28 | 127.9° | 120.5° |
| C31 | C30 | O9 | H43 | 117.2° | 118.5° |
| C31 | C30 | C28 | H43 | 123.2° | 119.7° |
| C31 | C30 | C28 | O7 | 81.7° | 118.2° |
| C31 | C30 | C28 | H39 | 158.3° | 0.2° |
| C30 | C31 | C33 | H48 | 65.7° | 177.6° |
| C30 | C31 | C33 | H49 | 175.7° | 63.1° |
| C13 | C14 | H19 | H18 | 118.7° | 119.2° |
| C14 | C13 | H16 | H17 | 119.9° | 118.6° |
| C13 | C14 | C15 | H21 | 63.1° | 150.9° |
| C13 | C14 | C15 | H20 | 178.2° | 89.4° |
| C38 | C23 | C24 | C25 | 78.1° | 107.8° |
| C38 | C23 | C22 | H30 | 179.2° | 176.7° |
| C38 | C23 | C24 | H31 | 161.8° | 11.1° |
| C38 | C23 | C24 | H32 | 42.0° | 132.2° |
| C23 | C38 | H57 | H55 | 120.0° | 120.1° |
| C23 | C38 | H57 | H56 | 120.0° | 120.0° |
| C23 | C38 | H55 | H56 | 120.0° | 120.0° |
| C37 | C36 | O9 | O10 | 116.1° | 119.1° |
| C37 | C36 | O9 | C30 | 175.2° | 179.5° |
| C37 | C36 | C34 | H50 | 43.2° | 52.3° |
| C37 | C36 | O10 | H54 | 11.9° | 59.9° |
| O11 | C37 | C36 | O9 | 85.4° | 100.9° |
| O11 | C37 | C36 | O10 | 29.8° | 139.7° |
| C23 | C24 | C25 | C27 | 85.5° | 153.0° |
| C23 | C24 | C25 | H31 | 120.1° | 119.4° |
| C23 | C24 | C25 | H32 | 120.1° | 120.0° |
| C23 | C24 | C25 | C26 | 152.3° | 86.6° |
| C24 | C23 | C22 | H30 | 1.4° | 2.4° |
| C23 | C24 | H31 | H32 | 119.6° | 120.3° |
| C23 | C24 | C25 | H33 | 33.2° | 32.8° |
| C24 | C23 | C38 | H57 | 0.6° | 174.0° |
| C24 | C23 | C38 | H55 | 120.6° | 53.9° |
| C24 | C23 | C38 | H56 | 119.4° | 66.1° |
| C36 | O9 | C30 | C28 | 174.7° | 175.7° |
| C36 | O9 | C30 | H43 | 59.9° | 54.8° |
| O9 | C36 | C34 | H50 | 74.7° | 68.1° |
| O9 | C36 | O10 | H54 | 101.6° | 59.3° |
| O10 | C36 | O9 | C30 | 68.7° | 60.4° |
| O10 | C36 | C34 | H50 | 165.7° | 171.7° |
| C25 | C27 | C28 | H37 | 120.6° | 120.8° |
| C25 | C27 | C28 | H38 | 120.6° | 121.5° |
| C25 | C27 | C28 | C30 | 175.1° | 92.9° |
| C27 | C25 | C24 | C26 | 122.2° | 120.4° |
| C27 | C25 | C24 | H33 | 118.8° | 120.2° |
| C27 | C25 | C26 | H33 | 119.7° | 121.3° |
| C25 | C27 | C28 | O7 | 65.1° | 29.0° |
| C27 | C25 | C24 | H31 | 34.6° | 33.7° |
| C27 | C25 | C24 | H32 | 154.3° | 86.9° |
| C27 | C25 | C26 | H36 | 180.0° | 179.9° |
| C27 | C25 | C26 | H34 | 60.0° | 60.1° |
| C27 | C25 | C26 | H35 | 60.0° | 59.9° |
| C25 | C27 | H37 | H38 | 118.3° | 119.1° |
| C25 | C27 | C28 | H39 | 56.5° | 147.9° |
| C27 | C28 | C30 | O9 | 81.6° | 121.1° |
| C27 | C28 | C30 | O7 | 121.7° | 122.2° |
| C27 | C28 | C30 | H39 | 118.4° | 119.4° |
| C28 | C27 | C25 | C24 | 81.0° | 176.8° |
| C28 | C27 | C25 | C26 | 39.9° | 63.7° |
| C27 | C28 | O7 | H39 | 120.7° | 119.2° |
| C27 | C28 | O7 | C29 | 154.3° | 89.9° |
| C28 | C27 | C25 | H33 | 160.0° | 57.3° |
| C28 | C27 | H37 | H38 | 118.3° | 118.7° |
| C27 | C28 | C30 | H43 | 163.1° | 0.2° |
| O9 | C30 | C28 | H43 | 115.3° | 120.9° |
| O9 | C30 | C28 | O7 | 156.7° | 1.2° |
| O9 | C30 | C28 | H39 | 36.8° | 119.6° |
| O9 | C30 | C31 | H44 | 65.6° | 59.4° |
| C30 | C28 | O7 | H39 | 119.1° | 118.7° |
| C30 | C28 | O7 | C29 | 85.5° | 147.9° |
| C30 | C28 | C27 | H37 | 54.5° | 146.3° |
| C30 | C28 | C27 | H38 | 64.4° | 28.6° |
| C28 | C30 | C31 | H44 | 53.4° | 60.9° |
| C24 | C25 | C26 | H33 | 118.7° | 118.9° |
| C25 | C24 | H31 | H32 | 119.6° | 119.8° |
| C24 | C25 | C26 | H36 | 58.5° | 60.0° |
| C24 | C25 | C26 | H34 | 178.5° | 180.0° |
| C24 | C25 | C26 | H35 | 61.5° | 60.0° |
| C24 | C25 | C27 | H37 | 158.4° | 56.3° |
| C24 | C25 | C27 | H38 | 39.6° | 61.8° |
| C26 | C25 | C24 | H31 | 87.6° | 154.0° |
| C26 | C25 | C24 | H32 | 32.2° | 33.5° |
| C25 | C26 | H36 | H34 | 120.0° | 120.0° |
| C25 | C26 | H36 | H35 | 120.0° | 120.1° |
| C25 | C26 | H34 | H35 | 120.0° | 120.1° |
| C26 | C25 | C27 | H37 | 80.7° | 175.9° |
| C26 | C25 | C27 | H38 | 160.4° | 57.8° |
| O7 | C28 | C27 | H37 | 174.3° | 91.8° |
| O7 | C28 | C27 | H38 | 55.5° | 150.5° |
| C28 | O7 | C29 | H40 | 180.0° | 179.9° |
| C28 | O7 | C29 | H42 | 60.0° | 60.0° |
| C28 | O7 | C29 | H41 | 60.0° | 60.1° |
| O7 | C28 | C30 | H43 | 41.5° | 122.1° |
| C29 | O7 | C28 | H39 | 33.6° | 29.3° |
| O7 | C29 | H40 | H42 | 120.0° | 120.0° |
| O7 | C29 | H40 | H41 | 120.0° | 120.0° |
| O7 | C29 | H42 | H41 | 119.9° | 120.0° |
| H7 | C4 | C5 | H9 | 162.7° | 60.0° |
| H7 | C4 | C2 | H3 | 177.4° | 60.0° |
| H8 | C4 | C5 | H9 | 43.3° | 180.0° |
| H8 | C4 | C2 | H3 | 58.1° | 180.0° |
| H19 | C14 | C13 | H16 | 67.3° | 88.0° |
| H19 | C14 | C13 | H17 | 52.6° | 30.8° |
| H19 | C14 | C15 | H21 | 57.2° | 30.9° |
| H19 | C14 | C15 | H20 | 61.5° | 150.6° |
| H18 | C14 | C13 | H16 | 51.9° | 30.8° |
| H18 | C14 | C13 | H17 | 171.8° | 149.6° |
| H18 | C14 | C15 | H21 | 176.5° | 88.1° |
| H18 | C14 | C15 | H20 | 57.8° | 31.6° |
| H9 | C5 | C6 | H10 | 159.1° | 172.1° |
| H9 | C5 | C45 | H70 | 39.4° | NaN° |
| H9 | C5 | C45 | H71 | 157.4° | 60.0° |
| H15 | C11 | C16 | H22 | 70.5° | 80.5° |
| H15 | C11 | C16 | H23 | 48.7° | 39.7° |
| H13 | C8 | H12 | H11 | 120.0° | 120.0° |
| H14 | C9 | C17 | H24 | 176.3° | 135.6° |
| H6 | C3 | H4 | H5 | 120.0° | 120.0° |
| H2 | C1 | C2 | H3 | 175.1° | 180.0° |
| H2 | C1 | C46 | H72 | 177.0° | 180.0° |
| H2 | C1 | C46 | H73 | 57.4° | 60.0° |
| H2 | C1 | O1 | H1 | 60.8° | 59.9° |
| H21 | C15 | C16 | H22 | 56.8° | 50.1° |
| H21 | C15 | C16 | H23 | 176.0° | 70.2° |
| H20 | C15 | C16 | H22 | 62.0° | 69.4° |
| H20 | C15 | C16 | H23 | 57.2° | 170.3° |
| H24 | C17 | C18 | H25 | 55.5° | 29.7° |
| H24 | C17 | C44 | H68 | 58.3° | 57.0° |
| H24 | C17 | C44 | H69 | 61.7° | 63.0° |
| H24 | C17 | C44 | H67 | 178.3° | 177.0° |
| H25 | C18 | C19 | H27 | 86.7° | 175.1° |
| H25 | C18 | C19 | H28 | 153.9° | 53.1° |
| H25 | C18 | O6 | H26 | 61.4° | 58.8° |
| H29 | C21 | C22 | H30 | 163.0° | 133.5° |
| H29 | C21 | C39 | H59 | 172.2° | 66.3° |
| H29 | C21 | C39 | H58 | 52.2° | 173.8° |
| H31 | C24 | C25 | H33 | 153.4° | 86.5° |
| H32 | C24 | C25 | H33 | 86.9° | 152.9° |
| H33 | C25 | C26 | H36 | 60.3° | 58.9° |
| H33 | C25 | C26 | H34 | 59.7° | 61.1° |
| H33 | C25 | C26 | H35 | 179.7° | 178.9° |
| H33 | C25 | C27 | H37 | 39.5° | 63.1° |
| H33 | C25 | C27 | H38 | 79.4° | 178.8° |
| H36 | C26 | H34 | H35 | 120.0° | 119.9° |
| H37 | C27 | C28 | H39 | 64.1° | 27.0° |
| H38 | C27 | C28 | H39 | 177.1° | 90.6° |
| H39 | C28 | C30 | H43 | 78.5° | 119.5° |
| H40 | C29 | H42 | H41 | 120.0° | 120.1° |
| H43 | C30 | C31 | H44 | 176.7° | 178.7° |
| H44 | C31 | C33 | H48 | 172.8° | 57.6° |
| H44 | C31 | C33 | H49 | 54.3° | 176.8° |
| H45 | C32 | H47 | H46 | 120.0° | 120.1° |
| H48 | C33 | C34 | H50 | 168.5° | 52.7° |
| H49 | C33 | C34 | H50 | 49.9° | 172.2° |
| H50 | C34 | C35 | H52 | 60.8° | 179.1° |
| H50 | C34 | C35 | H53 | 59.2° | 60.9° |
| H50 | C34 | C35 | H51 | 179.2° | 59.1° |
| H52 | C35 | H53 | H51 | 120.0° | 120.0° |
| H57 | C38 | H55 | H56 | 120.0° | 120.0° |
| H59 | C39 | C40 | H60 | 65.6° | 176.9° |
| H58 | C39 | C40 | H60 | 174.4° | 63.1° |
| H60 | C40 | C41 | H62 | 0.0° | 0.0° |
| H60 | C40 | C41 | H61 | 180.0° | 179.9° |
| H65 | C43 | H64 | H66 | 120.0° | 120.0° |
| H68 | C44 | H69 | H67 | 120.0° | 120.0° |
| H70 | C45 | C46 | H72 | 46.5° | 180.0° |
| H70 | C45 | C46 | H73 | 73.1° | 59.9° |
| H71 | C45 | C46 | H72 | 164.6° | 60.0° |
| H71 | C45 | C46 | H73 | 45.0° | 60.0° |
