T7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.39Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| O1 | C1 | sing | 1.43Å | 1.35Å | |
| O1 | P1 | sing | 1.61Å | 1.66Å | |
| O11 | P1 | doub | 1.48Å | 1.50Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.59Å | |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C7 | O13 | sing | 1.43Å | 1.46Å | |
| P1 | O13 | sing | 1.61Å | 1.73Å | |
| P1 | O12 | sing | 1.61Å | 1.55Å | |
| O17 | C10 | doub | 1.21Å | 1.20Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | O16 | sing | 1.45Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| O16 | C10 | sing | 1.34Å | 1.45Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C9 | O18 | sing | 1.45Å | 1.42Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| O18 | C11 | sing | 1.34Å | 1.49Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | doub | 1.31Å | 1.34Å | |
| C11 | O19 | doub | 1.21Å | 1.17Å | |
| C11 | C31 | sing | 1.51Å | 1.56Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | doub | 1.31Å | 1.34Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | doub | 1.31Å | 1.33Å | |
| C18 | C19 | doub | 1.31Å | 1.31Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | C34 | sing | 1.53Å | 1.59Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | sing | 1.53Å | 1.56Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C41 | C40 | sing | 1.53Å | 1.58Å | |
| C39 | C38 | sing | 1.53Å | 1.58Å | |
| C39 | C40 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| O12 | H19 | sing | 0.97Å | 0.95Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H40 | sing | 1.08Å | 1.08Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 22.96Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C29 | C30 | sing | 1.53Å | 0.00Å | |
| C41 | C42 | sing | 1.53Å | 13.81Å | |
| C42 | C43 | sing | 1.53Å | 0.00Å | |
| C43 | C44 | sing | 1.53Å | 0.00Å | |
| C44 | C45 | sing | 1.53Å | 0.00Å | |
| C45 | C46 | sing | 1.53Å | 0.00Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 0.00Å | |
| C28 | H37 | sing | 1.09Å | 0.00Å | |
| C29 | H39 | sing | 1.09Å | 0.00Å | |
| C29 | H41 | sing | 1.09Å | 0.00Å | |
| C30 | H46 | sing | 1.09Å | 0.00Å | |
| C30 | H69 | sing | 1.09Å | 0.00Å | |
| C30 | H70 | sing | 1.09Å | 0.00Å | |
| C42 | H71 | sing | 1.09Å | 0.00Å | |
| C42 | H72 | sing | 1.09Å | 0.00Å | |
| C43 | H73 | sing | 1.09Å | 0.00Å | |
| C43 | H74 | sing | 1.09Å | 0.00Å | |
| C44 | H75 | sing | 1.09Å | 0.00Å | |
| C44 | H76 | sing | 1.09Å | 0.00Å | |
| C45 | H77 | sing | 1.09Å | 0.00Å | |
| C45 | H78 | sing | 1.09Å | 0.00Å | |
| C46 | H79 | sing | 1.09Å | 0.00Å | |
| C46 | H80 | sing | 1.09Å | 0.00Å | |
| C46 | C47 | sing | 1.53Å | 0.00Å | |
| C47 | H81 | sing | 1.09Å | 0.00Å | |
| C47 | H82 | sing | 1.09Å | 0.00Å | |
| C47 | H83 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 111.9° | 109.5° |
| O2 | C2 | C1 | 107.4° | 109.5° |
| O2 | C2 | H2 | 110.8° | 109.5° |
| C2 | O2 | H3 | 109.5° | 114.0° |
| O3 | C3 | C2 | 109.9° | 109.5° |
| O3 | C3 | C4 | 111.0° | 109.5° |
| O3 | C3 | H4 | 108.8° | 109.5° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| C3 | C2 | C1 | 110.1° | 109.5° |
| C2 | C3 | C4 | 112.2° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | H4 | 107.2° | 109.4° |
| C2 | C1 | O1 | 111.8° | 109.5° |
| C2 | C1 | C6 | 109.0° | 109.5° |
| C2 | C1 | H1 | 107.2° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.4° |
| C1 | O1 | P1 | 113.1° | 123.0° |
| O1 | C1 | C6 | 111.3° | 109.5° |
| O1 | C1 | H1 | 110.2° | 109.4° |
| O1 | P1 | O11 | 102.1° | 109.5° |
| O1 | P1 | O13 | 107.9° | 109.4° |
| O1 | P1 | O12 | 110.8° | 109.5° |
| O11 | P1 | O13 | 112.0° | 109.5° |
| O11 | P1 | O12 | 111.4° | 109.5° |
| O6 | C6 | C1 | 107.7° | 109.5° |
| O6 | C6 | C5 | 112.9° | 109.5° |
| O6 | C6 | H10 | 110.6° | 109.5° |
| C6 | O6 | H11 | 109.5° | 114.0° |
| C3 | C4 | O4 | 108.0° | 109.4° |
| C3 | C4 | C5 | 112.9° | 109.5° |
| C4 | C3 | H4 | 107.5° | 109.5° |
| C3 | C4 | H6 | 108.1° | 109.5° |
| C1 | C6 | C5 | 108.7° | 109.5° |
| C6 | C1 | H1 | 107.1° | 109.5° |
| C1 | C6 | H10 | 108.1° | 109.4° |
| C8 | C7 | O13 | 115.0° | 109.4° |
| C7 | C8 | O16 | 113.5° | 109.5° |
| C7 | C8 | C9 | 109.6° | 109.5° |
| C8 | C7 | H12 | 108.1° | 109.4° |
| C8 | C7 | H13 | 108.1° | 109.5° |
| C7 | C8 | H14 | 105.1° | 109.5° |
| C7 | O13 | P1 | 127.8° | 123.0° |
| O13 | C7 | H12 | 108.0° | 109.5° |
| O13 | C7 | H13 | 108.1° | 109.5° |
| O13 | P1 | O12 | 112.1° | 109.5° |
| P1 | O12 | H19 | 109.5° | 114.0° |
| O17 | C10 | O16 | 130.5° | 120.0° |
| O17 | C10 | C12 | 112.6° | 120.0° |
| C6 | C5 | C4 | 109.6° | 109.4° |
| C6 | C5 | O5 | 108.7° | 109.4° |
| C6 | C5 | H8 | 107.0° | 109.5° |
| C5 | C6 | H10 | 108.6° | 109.5° |
| O4 | C4 | C5 | 110.4° | 109.4° |
| O4 | C4 | H6 | 109.2° | 109.5° |
| C4 | O4 | H7 | 109.5° | 114.0° |
| C4 | C5 | O5 | 115.8° | 109.4° |
| C5 | C4 | H6 | 108.2° | 109.5° |
| C4 | C5 | H8 | 107.2° | 109.5° |
| O16 | C8 | C9 | 115.3° | 109.5° |
| C8 | O16 | C10 | 123.6° | 117.0° |
| O16 | C8 | H14 | 106.9° | 109.4° |
| C8 | C9 | O18 | 122.4° | 109.4° |
| C9 | C8 | H14 | 105.5° | 109.4° |
| C8 | C9 | H15 | 106.2° | 109.5° |
| C8 | C9 | H16 | 106.1° | 109.5° |
| O16 | C10 | C12 | 116.8° | 120.0° |
| C10 | C12 | C13 | 108.1° | 109.5° |
| C10 | C12 | H17 | 109.8° | 109.5° |
| C10 | C12 | H18 | 109.8° | 109.5° |
| O5 | C5 | H8 | 108.3° | 109.6° |
| C5 | O5 | H9 | 109.5° | 114.0° |
| C9 | O18 | C11 | 102.0° | 117.0° |
| O18 | C9 | H15 | 106.2° | 109.5° |
| O18 | C9 | H16 | 106.2° | 109.5° |
| C13 | C14 | C15 | 107.6° | 109.4° |
| C14 | C13 | C12 | 108.1° | 109.5° |
| C14 | C13 | H20 | 109.8° | 109.5° |
| C14 | C13 | H21 | 109.8° | 109.5° |
| C13 | C14 | H22 | 110.0° | 109.5° |
| C13 | C14 | H23 | 109.9° | 109.5° |
| C14 | C15 | C16 | 123.6° | 120.0° |
| C15 | C14 | H22 | 109.9° | 109.5° |
| C15 | C14 | H23 | 110.0° | 109.5° |
| C14 | C15 | H24 | 118.2° | 120.0° |
| C13 | C12 | H17 | 109.8° | 109.4° |
| C13 | C12 | H18 | 109.8° | 109.4° |
| C12 | C13 | H20 | 109.8° | 109.5° |
| C12 | C13 | H21 | 109.8° | 109.5° |
| O18 | C11 | O19 | 120.2° | 120.0° |
| O18 | C11 | C31 | 128.9° | 120.0° |
| C16 | C17 | C18 | 105.3° | 109.5° |
| C17 | C16 | C15 | 124.7° | 120.0° |
| C17 | C16 | H25 | 117.6° | 120.0° |
| C16 | C17 | H26 | 110.5° | 109.5° |
| C16 | C17 | H27 | 110.5° | 109.4° |
| C17 | C18 | C19 | 124.4° | 120.0° |
| C18 | C17 | H26 | 110.5° | 109.5° |
| C18 | C17 | H27 | 110.5° | 109.5° |
| C17 | C18 | H28 | 117.8° | 120.0° |
| C16 | C15 | H24 | 118.2° | 120.0° |
| C15 | C16 | H25 | 117.7° | 120.0° |
| O19 | C11 | C31 | 110.6° | 120.0° |
| C11 | C31 | C32 | 115.2° | 109.5° |
| C11 | C31 | H47 | 108.0° | 109.5° |
| C11 | C31 | H48 | 108.0° | 109.4° |
| C21 | C20 | C19 | 107.4° | 109.5° |
| C20 | C21 | C22 | 114.6° | 120.1° |
| C21 | C20 | H30 | 110.0° | 109.5° |
| C20 | C21 | H32 | 122.7° | 120.0° |
| C21 | C20 | H31 | 110.0° | 109.5° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C20 | C19 | H29 | 120.0° | 119.9° |
| C19 | C20 | H30 | 110.0° | 109.5° |
| C19 | C20 | H31 | 110.0° | 109.5° |
| C21 | C22 | C23 | 121.2° | 120.1° |
| C22 | C21 | H32 | 122.7° | 120.0° |
| C21 | C22 | H34 | 119.4° | 120.0° |
| C22 | C23 | C24 | 111.0° | 109.5° |
| C23 | C22 | H34 | 119.4° | 120.0° |
| C22 | C23 | H36 | 109.1° | 109.5° |
| C22 | C23 | H33 | 109.1° | 109.5° |
| C31 | C32 | C33 | 109.3° | 109.4° |
| C32 | C31 | H47 | 108.0° | 109.5° |
| C32 | C31 | H48 | 108.0° | 109.5° |
| C31 | C32 | H49 | 109.5° | 109.5° |
| C31 | C32 | H50 | 109.5° | 109.5° |
| C23 | C24 | C25 | 113.2° | 120.0° |
| C24 | C23 | H36 | 109.1° | 109.5° |
| C23 | C24 | H38 | 123.4° | 120.0° |
| C24 | C23 | H33 | 109.1° | 109.5° |
| C24 | C25 | C26 | 125.6° | 120.0° |
| C25 | C24 | H38 | 123.4° | 119.9° |
| C24 | C25 | H40 | 117.2° | 120.0° |
| C19 | C18 | H28 | 117.8° | 120.0° |
| C18 | C19 | H29 | 120.0° | 120.0° |
| C25 | C26 | C27 | 107.0° | 109.5° |
| C26 | C25 | H40 | 117.2° | 119.9° |
| C25 | C26 | H42 | 110.1° | 109.5° |
| C25 | C26 | H43 | 110.1° | 109.5° |
| C32 | C33 | C34 | 114.0° | 109.5° |
| C33 | C32 | H49 | 109.5° | 109.5° |
| C33 | C32 | H50 | 109.5° | 109.5° |
| C32 | C33 | H51 | 108.3° | 109.5° |
| C32 | C33 | H52 | 108.4° | 109.5° |
| C33 | C34 | C35 | 111.8° | 109.5° |
| C34 | C33 | H51 | 108.3° | 109.4° |
| C34 | C33 | H52 | 108.3° | 109.5° |
| C33 | C34 | H53 | 108.9° | 109.5° |
| C33 | C34 | H54 | 108.9° | 109.5° |
| C27 | C26 | H42 | 110.1° | 109.5° |
| C27 | C26 | H43 | 110.1° | 109.5° |
| C26 | C27 | H44 | 111.9° | 109.5° |
| C26 | C27 | H45 | 111.8° | 109.5° |
| C26 | C27 | C28 | 99.7° | 109.5° |
| C34 | C35 | C36 | 112.6° | 109.5° |
| C35 | C34 | H53 | 108.9° | 109.5° |
| C35 | C34 | H54 | 108.9° | 109.5° |
| C34 | C35 | H55 | 108.7° | 109.5° |
| C34 | C35 | H56 | 108.7° | 109.5° |
| C35 | C36 | C37 | 109.5° | 109.5° |
| C36 | C35 | H55 | 108.7° | 109.4° |
| C36 | C35 | H56 | 108.7° | 109.5° |
| C35 | C36 | H57 | 109.4° | 109.4° |
| C35 | C36 | H58 | 109.5° | 109.5° |
| C36 | C37 | C38 | 113.0° | 109.5° |
| C37 | C36 | H57 | 109.5° | 109.5° |
| C37 | C36 | H58 | 109.5° | 109.5° |
| C36 | C37 | H59 | 108.6° | 109.4° |
| C36 | C37 | H60 | 108.6° | 109.5° |
| C37 | C38 | C39 | 108.7° | 109.5° |
| C38 | C37 | H59 | 108.6° | 109.5° |
| C38 | C37 | H60 | 108.6° | 109.5° |
| C37 | C38 | H61 | 109.7° | 109.5° |
| C37 | C38 | H62 | 109.7° | 109.5° |
| C41 | C40 | C39 | 106.1° | 109.4° |
| C41 | C40 | H65 | 110.3° | 109.5° |
| C41 | C40 | H66 | 110.3° | 109.5° |
| C40 | C41 | H67 | 120.2° | 109.5° |
| C40 | C41 | H68 | 120.2° | 109.5° |
| C40 | C41 | C42 | 58.9° | 109.5° |
| C38 | C39 | C40 | 119.2° | 109.4° |
| C39 | C38 | H61 | 109.6° | 109.5° |
| C39 | C38 | H62 | 109.6° | 109.4° |
| C38 | C39 | H63 | 107.0° | 109.4° |
| C38 | C39 | H64 | 107.0° | 109.4° |
| C40 | C39 | H63 | 107.0° | 109.5° |
| C40 | C39 | H64 | 107.0° | 109.5° |
| C39 | C40 | H65 | 110.3° | 109.5° |
| C39 | C40 | H66 | 110.3° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.4° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H36 | C23 | H33 | 109.5° | 109.4° |
| H42 | C26 | H43 | 109.5° | 109.4° |
| H44 | C27 | H45 | 109.5° | 109.4° |
| H44 | C27 | C28 | 111.9° | 109.5° |
| H45 | C27 | C28 | 111.8° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.5° |
| H49 | C32 | H50 | 109.5° | 109.5° |
| H51 | C33 | H52 | 109.4° | 109.5° |
| H53 | C34 | H54 | 109.5° | 109.4° |
| H55 | C35 | H56 | 109.5° | 109.5° |
| H57 | C36 | H58 | 109.5° | 109.5° |
| H59 | C37 | H60 | 109.4° | 109.5° |
| H61 | C38 | H62 | 109.5° | 109.5° |
| H63 | C39 | H64 | 109.5° | 109.5° |
| H65 | C40 | H66 | 109.5° | 109.5° |
| H67 | C41 | H68 | 109.5° | 109.5° |
| H67 | C41 | C42 | 120.2° | 109.4° |
| H68 | C41 | C42 | 120.2° | 109.5° |
| C27 | C28 | C29 | 90.0° | 109.4° |
| C27 | C28 | H35 | 90.0° | 109.5° |
| C27 | C28 | H37 | 90.0° | 109.5° |
| C28 | C29 | C30 | 90.0° | 109.4° |
| C29 | C28 | H35 | 90.0° | 109.5° |
| C29 | C28 | H37 | 90.0° | 109.5° |
| C28 | C29 | H39 | 90.0° | 109.5° |
| C28 | C29 | H41 | 90.0° | 109.5° |
| C30 | C29 | H39 | 90.0° | 109.5° |
| C30 | C29 | H41 | 90.0° | 109.5° |
| C29 | C30 | H46 | 90.0° | 109.5° |
| C29 | C30 | H69 | 90.0° | 109.5° |
| C29 | C30 | H70 | 90.0° | 109.4° |
| C41 | C42 | C43 | 90.0° | 109.5° |
| C41 | C42 | H71 | 90.0° | 109.5° |
| C41 | C42 | H72 | 90.0° | 109.5° |
| C42 | C43 | C44 | 90.0° | 109.5° |
| C43 | C42 | H71 | 90.0° | 109.5° |
| C43 | C42 | H72 | 90.0° | 109.5° |
| C42 | C43 | H73 | 90.0° | 109.5° |
| C42 | C43 | H74 | 90.0° | 109.5° |
| C43 | C44 | C45 | 90.0° | 109.5° |
| C44 | C43 | H73 | 90.0° | 109.4° |
| C44 | C43 | H74 | 90.0° | 109.5° |
| C43 | C44 | H75 | 90.0° | 109.4° |
| C43 | C44 | H76 | 90.0° | 109.5° |
| C44 | C45 | C46 | 90.0° | 109.5° |
| C45 | C44 | H75 | 90.0° | 109.5° |
| C45 | C44 | H76 | 90.0° | 109.5° |
| C44 | C45 | H77 | 90.0° | 109.4° |
| C44 | C45 | H78 | 90.0° | 109.5° |
| C46 | C45 | H77 | 90.0° | 109.5° |
| C46 | C45 | H78 | 90.0° | 109.5° |
| C45 | C46 | H79 | 90.0° | 109.5° |
| C45 | C46 | H80 | 90.0° | 109.5° |
| C45 | C46 | C47 | 90.0° | 109.4° |
| H35 | C28 | H37 | 90.0° | 109.5° |
| H39 | C29 | H41 | 90.0° | 109.5° |
| H46 | C30 | H69 | 90.0° | 109.5° |
| H46 | C30 | H70 | 90.0° | 109.5° |
| H69 | C30 | H70 | 90.0° | 109.5° |
| H71 | C42 | H72 | 90.0° | 109.5° |
| H73 | C43 | H74 | 90.0° | 109.5° |
| H75 | C44 | H76 | 90.0° | 109.5° |
| H77 | C45 | H78 | 90.0° | 109.5° |
| H79 | C46 | H80 | 90.0° | 109.5° |
| H79 | C46 | C47 | 90.0° | 109.4° |
| H80 | C46 | C47 | 90.0° | 109.4° |
| C46 | C47 | H81 | 90.0° | 109.5° |
| C46 | C47 | H82 | 90.0° | 109.4° |
| C46 | C47 | H83 | 90.0° | 109.4° |
| H81 | C47 | H82 | 90.0° | 109.5° |
| H81 | C47 | H83 | 90.0° | 109.5° |
| H82 | C47 | H83 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | O3 | 63.7° | 60.0° |
| O2 | C2 | C3 | C1 | 119.4° | 120.0° |
| O2 | C2 | C3 | H2 | 122.5° | 120.0° |
| O2 | C2 | C1 | H2 | 119.6° | 120.0° |
| O2 | C2 | C1 | O1 | 57.8° | 60.0° |
| O2 | C2 | C3 | C4 | 172.2° | 180.0° |
| O2 | C2 | C1 | C6 | 178.7° | 180.0° |
| O2 | C2 | C1 | H1 | 63.2° | 60.0° |
| O2 | C2 | C3 | H4 | 54.4° | 60.0° |
| O3 | C3 | C2 | C4 | 124.1° | 120.0° |
| O3 | C3 | C2 | H4 | 118.1° | 120.0° |
| O3 | C3 | C2 | C1 | 176.9° | 180.0° |
| O3 | C3 | C4 | H4 | 118.9° | 120.1° |
| O3 | C3 | C4 | O4 | 60.3° | 60.0° |
| O3 | C3 | C4 | C5 | 177.4° | 180.0° |
| O3 | C3 | C2 | H2 | 58.8° | 60.0° |
| O3 | C3 | C4 | H6 | 57.8° | 60.0° |
| C3 | C2 | C1 | H2 | 118.3° | 120.0° |
| C3 | C2 | C1 | O1 | 179.9° | 180.0° |
| C2 | C3 | C4 | H4 | 117.6° | 120.0° |
| C3 | C2 | C1 | C6 | 56.6° | 60.0° |
| C2 | C3 | C4 | O4 | 176.2° | 180.0° |
| C2 | C3 | C4 | C5 | 53.9° | 60.0° |
| C3 | C2 | C1 | H1 | 59.0° | 60.0° |
| C3 | C2 | O2 | H3 | 180.0° | 60.0° |
| C2 | C3 | O3 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H6 | 65.7° | 60.0° |
| C2 | C1 | O1 | C6 | 122.2° | 120.0° |
| C2 | C1 | O1 | H1 | 119.1° | 120.0° |
| C2 | C1 | O1 | P1 | 146.2° | 120.0° |
| C2 | C1 | C6 | O6 | 61.3° | 60.0° |
| C1 | C2 | C3 | C4 | 52.8° | 60.0° |
| C2 | C1 | C6 | H1 | 115.6° | 120.0° |
| C2 | C1 | C6 | C5 | 61.4° | 60.1° |
| C1 | C2 | O2 | H3 | 59.0° | 180.0° |
| C1 | C2 | C3 | H4 | 65.0° | 60.0° |
| C2 | C1 | C6 | H10 | 179.2° | 180.0° |
| C1 | O1 | P1 | O11 | 177.0° | 55.0° |
| O1 | C1 | C6 | O6 | 62.6° | 60.0° |
| O1 | C1 | C6 | H1 | 120.6° | 120.0° |
| C1 | O1 | P1 | O13 | 64.8° | 175.0° |
| C1 | O1 | P1 | O12 | 58.3° | 65.0° |
| O1 | C1 | C6 | C5 | 174.8° | 179.9° |
| O1 | C1 | C2 | H2 | 61.8° | 60.0° |
| O1 | C1 | C6 | H10 | 57.0° | 60.0° |
| O1 | P1 | O11 | O13 | 115.2° | 120.0° |
| O1 | P1 | O11 | O12 | 118.3° | 120.0° |
| P1 | O1 | C1 | C6 | 91.6° | 120.0° |
| O1 | P1 | O13 | C7 | 52.1° | 175.0° |
| O1 | P1 | O13 | O12 | 122.3° | 120.0° |
| P1 | O1 | C1 | H1 | 27.1° | 0.0° |
| O1 | P1 | O12 | H19 | 113.0° | 60.0° |
| O11 | P1 | O13 | C7 | 59.5° | 55.0° |
| O11 | P1 | O13 | O12 | 126.1° | 120.0° |
| O11 | P1 | O12 | H19 | 0.0° | 180.0° |
| O6 | C6 | C1 | C5 | 122.6° | 120.1° |
| O6 | C6 | C1 | H10 | 119.6° | 120.0° |
| O6 | C6 | C5 | H10 | 123.1° | 120.0° |
| O6 | C6 | C5 | C4 | 58.0° | 60.0° |
| O6 | C6 | C5 | O5 | 69.3° | 59.9° |
| O6 | C6 | C1 | H1 | 176.9° | 180.0° |
| O6 | C6 | C5 | H8 | 174.0° | 180.0° |
| C3 | C4 | C5 | C6 | 58.1° | 60.1° |
| C3 | C4 | O4 | C5 | 123.9° | 120.0° |
| C3 | C4 | O4 | H6 | 117.4° | 120.0° |
| C3 | C4 | C5 | H6 | 119.6° | 120.0° |
| C3 | C4 | C5 | O5 | 178.7° | 180.0° |
| C4 | C3 | C2 | H2 | 65.3° | 60.0° |
| C4 | C3 | O3 | H5 | 55.2° | 60.0° |
| C3 | C4 | O4 | H7 | 180.0° | 179.9° |
| C3 | C4 | C5 | H8 | 57.7° | 59.9° |
| C1 | C6 | C5 | H10 | 117.4° | 119.9° |
| C1 | C6 | C5 | C4 | 61.4° | 60.1° |
| C1 | C6 | C5 | O5 | 171.3° | 180.0° |
| C6 | C1 | C2 | H2 | 61.7° | 60.0° |
| C1 | C6 | C5 | H8 | 54.5° | 59.9° |
| C1 | C6 | O6 | H11 | 180.0° | 180.0° |
| C8 | C7 | O13 | H12 | 120.8° | 119.9° |
| C8 | C7 | O13 | H13 | 120.8° | 120.0° |
| C8 | C7 | O13 | P1 | 147.2° | 180.0° |
| C7 | C8 | O16 | C9 | 127.7° | 120.1° |
| C7 | C8 | O16 | H14 | 115.4° | 120.0° |
| C7 | C8 | C9 | H14 | 112.7° | 120.0° |
| C7 | C8 | O16 | C10 | 150.4° | 89.9° |
| C7 | C8 | C9 | O18 | 110.5° | 55.0° |
| C8 | C7 | H12 | H13 | 117.5° | 120.0° |
| C7 | C8 | C9 | H15 | 127.7° | 175.0° |
| C7 | C8 | C9 | H16 | 11.3° | 65.0° |
| C7 | O13 | P1 | O12 | 174.4° | 65.0° |
| O13 | C7 | C8 | O16 | 110.2° | 65.1° |
| O13 | C7 | C8 | C9 | 20.3° | 55.0° |
| O13 | C7 | H12 | H13 | 117.5° | 120.1° |
| O13 | C7 | C8 | H14 | 133.3° | 175.0° |
| P1 | O13 | C7 | H12 | 26.4° | 60.1° |
| P1 | O13 | C7 | H13 | 92.0° | 60.0° |
| O13 | P1 | O12 | H19 | 126.4° | 60.0° |
| O17 | C10 | O16 | C8 | 68.3° | 0.1° |
| O17 | C10 | O16 | C12 | 175.5° | 179.9° |
| O17 | C10 | C12 | C13 | 16.7° | 0.0° |
| O17 | C10 | C12 | H17 | 136.5° | 119.9° |
| O17 | C10 | C12 | H18 | 103.1° | 120.0° |
| C6 | C5 | C4 | O4 | 179.0° | 180.0° |
| C6 | C5 | C4 | O5 | 123.3° | 119.9° |
| C6 | C5 | C4 | H8 | 115.8° | 120.0° |
| C6 | C5 | O5 | H8 | 115.9° | 120.1° |
| C5 | C6 | C1 | H1 | 54.3° | 60.0° |
| C6 | C5 | C4 | H6 | 61.5° | 59.9° |
| C6 | C5 | O5 | H9 | 180.0° | 179.9° |
| C5 | C6 | O6 | H11 | 60.0° | 60.0° |
| O4 | C4 | C5 | H6 | 119.4° | 120.0° |
| O4 | C4 | C5 | O5 | 57.7° | 60.1° |
| O4 | C4 | C3 | H4 | 58.6° | 60.0° |
| O4 | C4 | C5 | H8 | 63.2° | 60.0° |
| C4 | C5 | O5 | H8 | 120.4° | 120.0° |
| C5 | C4 | C3 | H4 | 63.7° | 59.9° |
| C5 | C4 | O4 | H7 | 56.1° | 60.1° |
| C4 | C5 | O5 | H9 | 56.2° | 60.1° |
| C4 | C5 | C6 | H10 | 178.8° | 180.0° |
| O16 | C8 | C9 | H14 | 117.7° | 120.0° |
| C8 | O16 | C10 | C12 | 116.2° | 180.0° |
| O16 | C8 | C9 | O18 | 19.1° | 65.0° |
| O16 | C8 | C7 | H12 | 129.0° | 175.0° |
| O16 | C8 | C7 | H13 | 10.6° | 55.0° |
| O16 | C8 | C9 | H15 | 102.7° | 55.0° |
| O16 | C8 | C9 | H16 | 140.9° | 175.0° |
| C9 | C8 | O16 | C10 | 81.9° | 150.0° |
| C8 | C9 | O18 | H15 | 121.8° | 120.0° |
| C8 | C9 | O18 | H16 | 121.8° | 120.0° |
| C8 | C9 | O18 | C11 | 135.7° | 180.0° |
| C9 | C8 | C7 | H12 | 100.4° | 64.9° |
| C9 | C8 | C7 | H13 | 141.2° | 175.1° |
| C8 | C9 | H15 | H16 | 114.2° | 120.0° |
| O16 | C10 | C12 | C13 | 166.9° | 180.0° |
| C10 | O16 | C8 | H14 | 35.0° | 30.1° |
| O16 | C10 | C12 | H17 | 47.2° | 60.0° |
| O16 | C10 | C12 | H18 | 73.3° | 60.1° |
| C10 | C12 | C13 | C14 | 99.5° | 180.0° |
| C10 | C12 | C13 | H17 | 119.8° | 120.0° |
| C10 | C12 | C13 | H18 | 119.8° | 120.0° |
| C10 | C12 | H17 | H18 | 120.6° | 120.0° |
| C10 | C12 | C13 | H20 | 140.7° | 60.0° |
| C10 | C12 | C13 | H21 | 20.3° | 60.0° |
| O5 | C5 | C4 | H6 | 61.7° | 60.0° |
| O5 | C5 | C6 | H10 | 53.8° | 60.1° |
| C9 | O18 | C11 | O19 | 72.3° | 0.0° |
| C9 | O18 | C11 | C31 | 101.4° | 180.0° |
| O18 | C9 | C8 | H14 | 136.8° | 175.0° |
| O18 | C9 | H15 | H16 | 114.2° | 120.0° |
| C13 | C14 | C15 | H22 | 119.7° | 120.0° |
| C13 | C14 | C15 | H23 | 119.7° | 120.0° |
| C14 | C13 | C12 | H20 | 119.8° | 120.0° |
| C14 | C13 | C12 | H21 | 119.8° | 120.0° |
| C13 | C14 | C15 | C16 | 144.7° | 127.7° |
| C14 | C13 | C12 | H17 | 140.7° | 60.0° |
| C14 | C13 | C12 | H18 | 20.3° | 60.0° |
| C14 | C13 | H20 | H21 | 120.7° | 120.0° |
| C13 | C14 | H22 | H23 | 120.9° | 120.0° |
| C13 | C14 | C15 | H24 | 35.3° | 52.5° |
| C15 | C14 | C13 | C12 | 109.1° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 7.5° |
| C14 | C15 | C16 | H24 | 180.0° | 179.9° |
| C15 | C14 | C13 | H20 | 10.7° | 60.0° |
| C15 | C14 | C13 | H21 | 131.1° | 60.0° |
| C15 | C14 | H22 | H23 | 120.9° | 120.1° |
| C14 | C15 | C16 | H25 | 179.9° | 172.5° |
| C13 | C12 | H17 | H18 | 120.7° | 120.0° |
| C12 | C13 | H20 | H21 | 120.6° | 120.0° |
| C12 | C13 | C14 | H22 | 10.6° | 60.0° |
| C12 | C13 | C14 | H23 | 131.2° | 60.0° |
| O18 | C11 | O19 | C31 | 174.8° | 180.0° |
| O18 | C11 | C31 | C32 | 113.1° | 180.0° |
| C11 | O18 | C9 | H15 | 13.9° | 60.0° |
| C11 | O18 | C9 | H16 | 102.5° | 60.0° |
| O18 | C11 | C31 | H47 | 7.8° | 60.0° |
| O18 | C11 | C31 | H48 | 126.1° | 60.0° |
| C16 | C17 | C18 | H26 | 119.3° | 120.1° |
| C16 | C17 | C18 | H27 | 119.3° | 120.0° |
| C17 | C16 | C15 | H25 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 138.8° | 127.6° |
| C17 | C16 | C15 | H24 | 179.9° | 172.4° |
| C16 | C17 | H26 | H27 | 121.9° | 119.9° |
| C16 | C17 | C18 | H28 | 41.2° | 52.4° |
| C18 | C17 | C16 | C15 | 138.7° | 126.4° |
| C17 | C18 | C19 | C20 | 0.7° | 7.5° |
| C17 | C18 | C19 | H28 | 180.0° | 180.0° |
| C18 | C17 | C16 | H25 | 41.3° | 53.7° |
| C18 | C17 | H26 | H27 | 121.9° | 120.0° |
| C17 | C18 | C19 | H29 | 179.4° | 172.5° |
| C16 | C15 | C14 | H22 | 25.0° | 7.7° |
| C16 | C15 | C14 | H23 | 95.6° | 112.4° |
| C15 | C16 | C17 | H26 | 19.3° | 113.6° |
| C15 | C16 | C17 | H27 | 102.0° | 6.3° |
| O19 | C11 | C31 | C32 | 72.7° | 0.0° |
| O19 | C11 | C31 | H47 | 166.4° | 120.0° |
| O19 | C11 | C31 | H48 | 48.1° | 120.0° |
| C11 | C31 | C32 | H47 | 120.9° | 120.0° |
| C11 | C31 | C32 | H48 | 120.8° | 120.0° |
| C11 | C31 | C32 | C33 | 160.5° | 180.0° |
| C11 | C31 | H47 | H48 | 117.3° | 119.9° |
| C11 | C31 | C32 | H49 | 79.5° | 60.0° |
| C11 | C31 | C32 | H50 | 40.5° | 60.0° |
| C21 | C20 | C19 | H30 | 119.7° | 120.0° |
| C21 | C20 | C19 | H31 | 119.7° | 120.0° |
| C20 | C21 | C22 | H32 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 178.4° | 180.0° |
| C21 | C20 | C19 | C18 | 177.0° | 126.3° |
| C21 | C20 | C19 | H29 | 3.0° | 53.7° |
| C21 | C20 | H30 | H31 | 120.9° | 120.0° |
| C20 | C21 | C22 | H34 | 1.6° | 0.0° |
| C19 | C20 | C21 | C22 | 134.9° | 125.0° |
| C20 | C19 | C18 | H29 | 180.0° | 180.0° |
| C20 | C19 | C18 | H28 | 179.3° | 172.4° |
| C19 | C20 | H30 | H31 | 121.0° | 120.0° |
| C19 | C20 | C21 | H32 | 45.1° | 55.0° |
| C21 | C22 | C23 | H34 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 170.8° | 125.0° |
| C22 | C21 | C20 | H30 | 15.2° | 5.0° |
| C21 | C22 | C23 | H36 | 50.6° | 115.0° |
| C22 | C21 | C20 | H31 | 105.4° | 115.0° |
| C21 | C22 | C23 | H33 | 69.0° | 5.0° |
| C22 | C23 | C24 | H36 | 120.2° | 120.1° |
| C22 | C23 | C24 | H33 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 126.3° | 125.0° |
| C23 | C22 | C21 | H32 | 1.6° | 0.0° |
| C22 | C23 | H36 | H33 | 119.3° | 120.0° |
| C22 | C23 | C24 | H38 | 53.7° | 55.0° |
| C31 | C32 | C33 | H49 | 120.0° | 120.0° |
| C31 | C32 | C33 | H50 | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 143.5° | 180.0° |
| C32 | C31 | H47 | H48 | 117.4° | 120.1° |
| C31 | C32 | H49 | H50 | 120.1° | 120.0° |
| C31 | C32 | C33 | H51 | 22.9° | 60.0° |
| C31 | C32 | C33 | H52 | 95.8° | 60.0° |
| C23 | C24 | C25 | H38 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 179.3° | 180.0° |
| C24 | C23 | C22 | H34 | 9.2° | 55.0° |
| C24 | C23 | H36 | H33 | 119.3° | 120.0° |
| C23 | C24 | C25 | H40 | 0.7° | 0.0° |
| C24 | C25 | C26 | H40 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 172.4° | 125.0° |
| C25 | C24 | C23 | H36 | 6.0° | 5.0° |
| C24 | C25 | C26 | H42 | 68.0° | 115.0° |
| C24 | C25 | C26 | H43 | 52.8° | 5.0° |
| C25 | C24 | C23 | H33 | 113.5° | 115.0° |
| C19 | C18 | C17 | H26 | 101.8° | 7.6° |
| C19 | C18 | C17 | H27 | 19.5° | 112.4° |
| C18 | C19 | C20 | H30 | 63.4° | 113.7° |
| C18 | C19 | C20 | H31 | 57.3° | 6.3° |
| C25 | C26 | C27 | H42 | 119.6° | 120.1° |
| C25 | C26 | C27 | H43 | 119.6° | 120.0° |
| C26 | C25 | C24 | H38 | 0.7° | 0.0° |
| C25 | C26 | H42 | H43 | 121.2° | 120.0° |
| C25 | C26 | C27 | H44 | 96.5° | 59.9° |
| C25 | C26 | C27 | H45 | 140.3° | 60.0° |
| C25 | C26 | C27 | C28 | 21.9° | 180.0° |
| C32 | C33 | C34 | H51 | 120.7° | 120.0° |
| C32 | C33 | C34 | H52 | 120.7° | 120.0° |
| C32 | C33 | C34 | C35 | 109.1° | 180.0° |
| C33 | C32 | C31 | H47 | 39.7° | 60.0° |
| C33 | C32 | C31 | H48 | 78.7° | 60.0° |
| C33 | C32 | H49 | H50 | 120.1° | 120.0° |
| C32 | C33 | H51 | H52 | 117.9° | 120.1° |
| C32 | C33 | C34 | H53 | 130.5° | 60.0° |
| C32 | C33 | C34 | H54 | 11.2° | 59.9° |
| C33 | C34 | C35 | H53 | 120.4° | 120.0° |
| C33 | C34 | C35 | H54 | 120.4° | 120.0° |
| C33 | C34 | C35 | C36 | 144.2° | 180.0° |
| C34 | C33 | C32 | H49 | 96.5° | 60.0° |
| C34 | C33 | C32 | H50 | 23.6° | 60.0° |
| C34 | C33 | H51 | H52 | 117.9° | 120.0° |
| C33 | C34 | H53 | H54 | 118.9° | 120.0° |
| C33 | C34 | C35 | H55 | 23.8° | 60.0° |
| C33 | C34 | C35 | H56 | 95.3° | 60.0° |
| C27 | C26 | C25 | H40 | 7.6° | 55.0° |
| C27 | C26 | H42 | H43 | 121.1° | 120.0° |
| C26 | C27 | H44 | H45 | 124.5° | 120.0° |
| C26 | C27 | H44 | C28 | 110.9° | 120.0° |
| C26 | C27 | H45 | C28 | 110.9° | 120.0° |
| C26 | C27 | C28 | C29 | 90.0° | 180.0° |
| C26 | C27 | C28 | H35 | 90.0° | 60.0° |
| C26 | C27 | C28 | H37 | 90.0° | 60.0° |
| C34 | C35 | C36 | H55 | 120.5° | 120.0° |
| C34 | C35 | C36 | H56 | 120.4° | 120.0° |
| C34 | C35 | C36 | C37 | 165.0° | 180.0° |
| C35 | C34 | C33 | H51 | 11.5° | 60.0° |
| C35 | C34 | C33 | H52 | 130.2° | 60.0° |
| C35 | C34 | H53 | H54 | 118.9° | 120.0° |
| C34 | C35 | H55 | H56 | 118.6° | 120.0° |
| C34 | C35 | C36 | H57 | 74.9° | 60.0° |
| C34 | C35 | C36 | H58 | 45.0° | 60.0° |
| C35 | C36 | C37 | H57 | 120.0° | 120.0° |
| C35 | C36 | C37 | H58 | 120.0° | 120.0° |
| C35 | C36 | C37 | C38 | 172.5° | 180.0° |
| C36 | C35 | C34 | H53 | 95.4° | 60.0° |
| C36 | C35 | C34 | H54 | 23.9° | 60.0° |
| C36 | C35 | H55 | H56 | 118.6° | 120.0° |
| C35 | C36 | H57 | H58 | 120.0° | 120.0° |
| C35 | C36 | C37 | H59 | 67.0° | 60.0° |
| C35 | C36 | C37 | H60 | 51.9° | 60.0° |
| C36 | C37 | C38 | H59 | 120.6° | 120.0° |
| C36 | C37 | C38 | H60 | 120.5° | 120.0° |
| C36 | C37 | C38 | C39 | 179.5° | 180.0° |
| C37 | C36 | C35 | H55 | 44.6° | 60.0° |
| C37 | C36 | C35 | H56 | 74.5° | 59.9° |
| C37 | C36 | H57 | H58 | 120.0° | 120.0° |
| C36 | C37 | H59 | H60 | 118.4° | 120.0° |
| C36 | C37 | C38 | H61 | 59.6° | 60.0° |
| C36 | C37 | C38 | H62 | 60.6° | 60.0° |
| C37 | C38 | C39 | H61 | 119.9° | 120.0° |
| C37 | C38 | C39 | H62 | 119.9° | 120.0° |
| C37 | C38 | C39 | C40 | 168.9° | 180.0° |
| C38 | C37 | C36 | H57 | 52.5° | 60.0° |
| C38 | C37 | C36 | H58 | 67.5° | 60.0° |
| C38 | C37 | H59 | H60 | 118.4° | 120.0° |
| C37 | C38 | H61 | H62 | 120.4° | 120.0° |
| C37 | C38 | C39 | H63 | 47.5° | 60.0° |
| C37 | C38 | C39 | H64 | 69.7° | 60.0° |
| C41 | C40 | C39 | C38 | 159.0° | 180.0° |
| C41 | C40 | C39 | H65 | 119.5° | 120.0° |
| C41 | C40 | C39 | H66 | 119.5° | 120.0° |
| C41 | C40 | C39 | H63 | 37.7° | 60.1° |
| C41 | C40 | C39 | H64 | 79.6° | 60.0° |
| C41 | C40 | H65 | H66 | 121.5° | 120.0° |
| C40 | C41 | H67 | H68 | 145.3° | 120.1° |
| C40 | C41 | H67 | C42 | 69.3° | 120.0° |
| C40 | C41 | H68 | C42 | 69.4° | 120.0° |
| C40 | C41 | C42 | C43 | 90.0° | 180.0° |
| C40 | C41 | C42 | H71 | 90.0° | 60.0° |
| C40 | C41 | C42 | H72 | 90.0° | 60.0° |
| C38 | C39 | C40 | H63 | 121.4° | 119.9° |
| C38 | C39 | C40 | H64 | 121.4° | 120.0° |
| C39 | C38 | C37 | H59 | 60.0° | 60.0° |
| C39 | C38 | C37 | H60 | 58.9° | 60.0° |
| C39 | C38 | H61 | H62 | 120.3° | 120.0° |
| C38 | C39 | H63 | H64 | 115.6° | 120.0° |
| C38 | C39 | C40 | H65 | 39.6° | 60.0° |
| C38 | C39 | C40 | H66 | 81.5° | 60.0° |
| C40 | C39 | C38 | H61 | 71.2° | 60.0° |
| C40 | C39 | C38 | H62 | 49.0° | 60.0° |
| C40 | C39 | H63 | H64 | 115.6° | 120.1° |
| C39 | C40 | H65 | H66 | 121.5° | 120.0° |
| C39 | C40 | C41 | H67 | 6.9° | 60.0° |
| C39 | C40 | C41 | H68 | 134.8° | 60.0° |
| C39 | C40 | C41 | C42 | 116.0° | 180.0° |
| H1 | C1 | C2 | H2 | 177.2° | 179.9° |
| H1 | C1 | C6 | H10 | 63.5° | 60.0° |
| H2 | C2 | O2 | H3 | 58.9° | 60.1° |
| H2 | C2 | C3 | H4 | 176.9° | 180.0° |
| H4 | C3 | O3 | H5 | 62.9° | 60.1° |
| H4 | C3 | C4 | H6 | 176.7° | 180.0° |
| H6 | C4 | O4 | H7 | 62.6° | 60.0° |
| H6 | C4 | C5 | H8 | 177.3° | 180.0° |
| H8 | C5 | O5 | H9 | 64.1° | 60.0° |
| H8 | C5 | C6 | H10 | 62.9° | 60.0° |
| H10 | C6 | O6 | H11 | 62.0° | 60.0° |
| H12 | C7 | C8 | H14 | 12.5° | 55.0° |
| H13 | C7 | C8 | H14 | 105.8° | 65.0° |
| H14 | C8 | C9 | H15 | 15.0° | 65.0° |
| H14 | C8 | C9 | H16 | 101.4° | 55.0° |
| H17 | C12 | C13 | H20 | 20.9° | 180.0° |
| H17 | C12 | C13 | H21 | 99.5° | 60.0° |
| H18 | C12 | C13 | H20 | 99.6° | 60.0° |
| H18 | C12 | C13 | H21 | 140.0° | 180.0° |
| H20 | C13 | C14 | H22 | 130.4° | NaN° |
| H20 | C13 | C14 | H23 | 109.1° | 60.0° |
| H21 | C13 | C14 | H22 | 109.2° | 60.0° |
| H21 | C13 | C14 | H23 | 11.4° | 180.0° |
| H22 | C14 | C15 | H24 | 155.0° | 172.4° |
| H23 | C14 | C15 | H24 | 84.4° | 67.5° |
| H24 | C15 | C16 | H25 | 0.1° | 7.6° |
| H25 | C16 | C17 | H26 | 160.6° | 66.4° |
| H25 | C16 | C17 | H27 | 78.0° | 173.7° |
| H26 | C17 | C18 | H28 | 78.2° | 172.4° |
| H27 | C17 | C18 | H28 | 160.5° | 67.6° |
| H28 | C18 | C19 | H29 | 0.6° | 7.6° |
| H29 | C19 | C20 | H30 | 116.7° | 66.3° |
| H29 | C19 | C20 | H31 | 122.7° | 173.7° |
| H30 | C20 | C21 | H32 | 164.8° | 175.0° |
| H32 | C21 | C22 | H34 | 178.4° | 180.0° |
| H32 | C21 | C20 | H31 | 74.6° | 65.0° |
| H34 | C22 | C23 | H36 | 129.4° | 65.0° |
| H34 | C22 | C23 | H33 | 111.0° | 175.0° |
| H36 | C23 | C24 | H38 | 174.0° | 175.1° |
| H38 | C24 | C25 | H40 | 179.2° | 180.0° |
| H38 | C24 | C23 | H33 | 66.5° | 65.0° |
| H40 | C25 | C26 | H42 | 112.0° | 65.0° |
| H40 | C25 | C26 | H43 | 127.2° | 175.0° |
| H42 | C26 | C27 | H44 | 23.2° | 180.0° |
| H42 | C26 | C27 | H45 | 100.0° | 60.0° |
| H42 | C26 | C27 | C28 | 141.6° | 60.0° |
| H43 | C26 | C27 | H44 | 143.9° | 60.0° |
| H43 | C26 | C27 | H45 | 20.7° | 180.0° |
| H43 | C26 | C27 | C28 | 97.7° | 60.0° |
| H44 | C27 | H45 | C28 | 124.5° | 120.0° |
| H44 | C27 | C28 | C29 | 90.0° | 60.0° |
| H44 | C27 | C28 | H35 | 90.0° | 180.0° |
| H44 | C27 | C28 | H37 | 90.0° | 60.0° |
| H45 | C27 | C28 | C29 | 90.0° | 60.0° |
| H45 | C27 | C28 | H35 | 90.0° | 60.0° |
| H45 | C27 | C28 | H37 | 90.0° | 179.9° |
| H47 | C31 | C32 | H49 | 159.6° | 180.0° |
| H47 | C31 | C32 | H50 | 80.3° | 60.0° |
| H48 | C31 | C32 | H49 | 41.3° | 60.0° |
| H48 | C31 | C32 | H50 | 161.4° | 180.0° |
| H49 | C32 | C33 | H51 | 142.8° | 180.0° |
| H49 | C32 | C33 | H52 | 24.2° | 60.0° |
| H50 | C32 | C33 | H51 | 97.1° | 60.0° |
| H50 | C32 | C33 | H52 | 144.3° | 180.0° |
| H51 | C33 | C34 | H53 | 108.8° | 180.0° |
| H51 | C33 | C34 | H54 | 131.9° | 60.1° |
| H52 | C33 | C34 | H53 | 9.8° | 60.0° |
| H52 | C33 | C34 | H54 | 109.5° | 180.0° |
| H53 | C34 | C35 | H55 | 144.1° | 180.0° |
| H53 | C34 | C35 | H56 | 25.1° | 60.0° |
| H54 | C34 | C35 | H55 | 96.6° | 60.0° |
| H54 | C34 | C35 | H56 | 144.3° | 180.0° |
| H55 | C35 | C36 | H57 | 164.6° | 180.0° |
| H55 | C35 | C36 | H58 | 75.4° | 60.0° |
| H56 | C35 | C36 | H57 | 45.5° | 60.0° |
| H56 | C35 | C36 | H58 | 165.5° | 180.0° |
| H57 | C36 | C37 | H59 | 173.0° | 180.0° |
| H57 | C36 | C37 | H60 | 68.1° | 60.0° |
| H58 | C36 | C37 | H59 | 53.1° | 60.0° |
| H58 | C36 | C37 | H60 | 172.0° | 180.0° |
| H59 | C37 | C38 | H61 | 179.8° | 180.0° |
| H59 | C37 | C38 | H62 | 59.9° | 60.0° |
| H60 | C37 | C38 | H61 | 60.9° | 60.0° |
| H60 | C37 | C38 | H62 | 178.8° | 180.0° |
| H61 | C38 | C39 | H63 | 167.4° | 180.0° |
| H61 | C38 | C39 | H64 | 50.2° | 60.0° |
| H62 | C38 | C39 | H63 | 72.4° | 60.0° |
| H62 | C38 | C39 | H64 | 170.4° | 180.0° |
| H63 | C39 | C40 | H65 | 81.8° | 179.9° |
| H63 | C39 | C40 | H66 | 157.2° | 59.9° |
| H64 | C39 | C40 | H65 | 161.0° | 60.0° |
| H64 | C39 | C40 | H66 | 39.9° | 180.0° |
| H65 | C40 | C41 | H67 | 112.6° | 180.0° |
| H65 | C40 | C41 | H68 | 105.7° | 60.0° |
| H65 | C40 | C41 | C42 | 3.4° | 60.0° |
| H66 | C40 | C41 | H67 | 126.3° | 60.0° |
| H66 | C40 | C41 | H68 | 15.3° | 180.0° |
| H66 | C40 | C41 | C42 | 124.5° | 60.0° |
| H67 | C41 | H68 | C42 | 145.3° | 120.0° |
| H67 | C41 | C42 | C43 | 90.0° | 60.0° |
| H67 | C41 | C42 | H71 | 90.0° | 180.0° |
| H67 | C41 | C42 | H72 | 90.0° | 60.0° |
| H68 | C41 | C42 | C43 | 90.0° | 60.0° |
| H68 | C41 | C42 | H71 | 90.0° | 60.0° |
| H68 | C41 | C42 | H72 | 90.0° | 180.0° |
| C27 | C28 | C29 | H35 | 90.0° | 120.0° |
| C27 | C28 | C29 | H37 | 90.0° | 120.0° |
| C27 | C28 | C29 | C30 | 90.0° | 180.0° |
| C27 | C28 | H35 | H37 | 90.0° | 120.0° |
| C27 | C28 | C29 | H39 | 90.0° | 60.0° |
| C27 | C28 | C29 | H41 | 90.0° | 60.0° |
| C28 | C29 | C30 | H39 | 90.0° | 120.0° |
| C28 | C29 | C30 | H41 | 90.0° | 120.0° |
| C29 | C28 | H35 | H37 | 90.0° | 120.0° |
| C28 | C29 | H39 | H41 | 90.0° | 120.0° |
| C28 | C29 | C30 | H46 | 90.0° | 60.0° |
| C28 | C29 | C30 | H69 | 90.0° | 60.0° |
| C28 | C29 | C30 | H70 | 90.0° | 180.0° |
| C30 | C29 | C28 | H35 | 90.0° | 60.0° |
| C30 | C29 | C28 | H37 | 90.0° | 60.0° |
| C30 | C29 | H39 | H41 | 90.0° | 120.0° |
| C29 | C30 | H46 | H69 | 90.0° | 120.0° |
| C29 | C30 | H46 | H70 | 90.0° | 119.9° |
| C29 | C30 | H69 | H70 | 90.0° | 120.0° |
| C41 | C42 | C43 | H71 | 90.0° | 120.0° |
| C41 | C42 | C43 | H72 | 90.0° | 120.0° |
| C41 | C42 | C43 | C44 | 90.0° | 180.0° |
| C41 | C42 | H71 | H72 | 90.0° | 120.0° |
| C41 | C42 | C43 | H73 | 90.0° | 60.0° |
| C41 | C42 | C43 | H74 | 90.0° | 60.0° |
| C42 | C43 | C44 | H73 | 90.0° | 120.0° |
| C42 | C43 | C44 | H74 | 90.0° | 120.0° |
| C42 | C43 | C44 | C45 | 90.0° | 180.0° |
| C43 | C42 | H71 | H72 | 90.0° | 120.0° |
| C42 | C43 | H73 | H74 | 90.0° | 120.0° |
| C42 | C43 | C44 | H75 | 90.0° | 60.0° |
| C42 | C43 | C44 | H76 | 90.0° | 60.0° |
| C43 | C44 | C45 | H75 | 90.0° | 119.9° |
| C43 | C44 | C45 | H76 | 90.0° | 120.0° |
| C43 | C44 | C45 | C46 | 90.0° | 180.0° |
| C44 | C43 | C42 | H71 | 90.0° | 60.0° |
| C44 | C43 | C42 | H72 | 90.0° | 60.0° |
| C44 | C43 | H73 | H74 | 90.0° | 120.0° |
| C43 | C44 | H75 | H76 | 90.0° | 120.0° |
| C43 | C44 | C45 | H77 | 90.0° | 60.0° |
| C43 | C44 | C45 | H78 | 90.0° | 60.0° |
| C44 | C45 | C46 | H77 | 90.0° | 119.9° |
| C44 | C45 | C46 | H78 | 90.0° | 120.0° |
| C45 | C44 | C43 | H73 | 90.0° | 60.0° |
| C45 | C44 | C43 | H74 | 90.0° | 59.9° |
| C45 | C44 | H75 | H76 | 90.0° | 120.0° |
| C44 | C45 | H77 | H78 | 90.0° | 120.0° |
| C44 | C45 | C46 | H79 | 90.0° | 60.1° |
| C44 | C45 | C46 | H80 | 90.0° | 60.0° |
| C44 | C45 | C46 | C47 | 90.0° | 179.9° |
| C46 | C45 | C44 | H75 | 90.0° | 60.0° |
| C46 | C45 | C44 | H76 | 90.0° | 60.0° |
| C46 | C45 | H77 | H78 | 90.0° | 120.0° |
| C45 | C46 | H79 | H80 | 90.0° | 120.1° |
| C45 | C46 | H79 | C47 | 90.0° | 120.0° |
| C45 | C46 | H80 | C47 | 90.0° | 120.0° |
| C45 | C46 | C47 | H81 | 90.0° | 60.0° |
| C45 | C46 | C47 | H82 | 90.0° | 60.0° |
| C45 | C46 | C47 | H83 | 90.0° | 180.0° |
| H35 | C28 | C29 | H39 | 90.0° | 180.0° |
| H35 | C28 | C29 | H41 | 90.0° | 60.0° |
| H37 | C28 | C29 | H39 | 90.0° | 60.0° |
| H37 | C28 | C29 | H41 | 90.0° | 180.0° |
| H39 | C29 | C30 | H46 | 90.0° | 180.0° |
| H39 | C29 | C30 | H69 | 90.0° | 59.9° |
| H39 | C29 | C30 | H70 | 90.0° | 60.0° |
| H41 | C29 | C30 | H46 | 90.0° | 60.0° |
| H41 | C29 | C30 | H69 | 90.0° | 180.0° |
| H41 | C29 | C30 | H70 | 90.0° | 60.0° |
| H46 | C30 | H69 | H70 | 90.0° | 120.0° |
| H71 | C42 | C43 | H73 | 90.0° | 180.0° |
| H71 | C42 | C43 | H74 | 90.0° | 60.0° |
| H72 | C42 | C43 | H73 | 90.0° | 60.0° |
| H72 | C42 | C43 | H74 | 90.0° | 180.0° |
| H73 | C43 | C44 | H75 | 90.0° | 180.0° |
| H73 | C43 | C44 | H76 | 90.0° | 60.0° |
| H74 | C43 | C44 | H75 | 90.0° | 60.0° |
| H74 | C43 | C44 | H76 | 90.0° | 180.0° |
| H75 | C44 | C45 | H77 | 90.0° | 180.0° |
| H75 | C44 | C45 | H78 | 90.0° | 60.0° |
| H76 | C44 | C45 | H77 | 90.0° | 60.0° |
| H76 | C44 | C45 | H78 | 90.0° | NaN° |
| H77 | C45 | C46 | H79 | 90.0° | 179.9° |
| H77 | C45 | C46 | H80 | 90.0° | 60.0° |
| H77 | C45 | C46 | C47 | 90.0° | 60.0° |
| H78 | C45 | C46 | H79 | 90.0° | 59.9° |
| H78 | C45 | C46 | H80 | 90.0° | 180.0° |
| H78 | C45 | C46 | C47 | 90.0° | 60.0° |
| H79 | C46 | H80 | C47 | 90.0° | 120.0° |
| H79 | C46 | C47 | H81 | 90.0° | 180.0° |
| H79 | C46 | C47 | H82 | 90.0° | 60.0° |
| H79 | C46 | C47 | H83 | 90.0° | 60.0° |
| H80 | C46 | C47 | H81 | 90.0° | 60.0° |
| H80 | C46 | C47 | H82 | 90.0° | 180.0° |
| H80 | C46 | C47 | H83 | 90.0° | 60.0° |
| C46 | C47 | H81 | H82 | 90.0° | 120.0° |
| C46 | C47 | H81 | H83 | 90.0° | 120.0° |
| C46 | C47 | H82 | H83 | 90.0° | 120.0° |
| H81 | C47 | H82 | H83 | 90.0° | 120.1° |
