T7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | P1 | sing | 1.61Å | 1.61Å | |
| O13 | P1 | sing | 1.61Å | 1.63Å | |
| O11 | P1 | doub | 1.48Å | 1.47Å | |
| P1 | O12 | sing | 1.61Å | 1.62Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| P4 | O4 | sing | 1.61Å | 1.59Å | |
| O42 | P4 | doub | 1.48Å | 1.49Å | |
| O43 | P4 | sing | 1.61Å | 1.63Å | |
| P4 | O41 | sing | 1.61Å | 1.60Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.53Å | 1.57Å | |
| C7 | O13 | sing | 1.43Å | 1.43Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| O16 | C8 | sing | 1.45Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O18 | C9 | sing | 1.45Å | 1.44Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O16 | C10 | sing | 1.34Å | 1.38Å | |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | O17 | doub | 1.21Å | 1.22Å | |
| O18 | C11 | sing | 1.34Å | 1.37Å | |
| C11 | O19 | doub | 1.21Å | 1.23Å | |
| C11 | C31 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.51Å | 1.40Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.31Å | 1.41Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.51Å | 1.41Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.51Å | 1.40Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.31Å | 1.40Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.51Å | 1.39Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.51Å | 1.40Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.31Å | 1.41Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.51Å | 1.40Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.51Å | 1.39Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.31Å | 1.40Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.51Å | 1.40Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 110.5° | 109.5° |
| C6 | C1 | O1 | 110.1° | 109.4° |
| C6 | C1 | H1 | 108.5° | 109.5° |
| C1 | C6 | C5 | 109.7° | 109.4° |
| C1 | C6 | O6 | 109.6° | 109.5° |
| C1 | C6 | H6 | 109.7° | 109.5° |
| C2 | C1 | O1 | 109.8° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C1 | C2 | O2 | 111.7° | 109.5° |
| C1 | C2 | H2 | 106.4° | 109.5° |
| O1 | C1 | H1 | 109.2° | 109.4° |
| C1 | O1 | P1 | 123.7° | 123.0° |
| O1 | P1 | O13 | 107.1° | 109.5° |
| O1 | P1 | O11 | 115.0° | 109.5° |
| O1 | P1 | O12 | 105.3° | 109.5° |
| O13 | P1 | O11 | 115.8° | 109.5° |
| O13 | P1 | O12 | 101.2° | 109.5° |
| P1 | O13 | C7 | 125.8° | 123.0° |
| O11 | P1 | O12 | 111.1° | 109.5° |
| P1 | O12 | HO12 | 109.5° | 114.0° |
| C3 | C2 | O2 | 106.7° | 109.4° |
| C3 | C2 | H2 | 111.5° | 109.5° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C2 | C3 | O3 | 109.3° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| O2 | C2 | H2 | 110.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.4° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.4° |
| C3 | C4 | O4 | 107.2° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C3 | C4 | H4 | 110.5° | 109.4° |
| O3 | C3 | H3 | 110.3° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | C5 | 108.4° | 109.5° |
| O4 | C4 | H4 | 111.7° | 109.5° |
| C4 | O4 | P4 | 123.1° | 123.0° |
| C5 | C4 | H4 | 109.4° | 109.4° |
| C4 | C5 | O5 | 109.8° | 109.4° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.4° |
| O4 | P4 | O42 | 110.5° | 109.5° |
| O4 | P4 | O43 | 105.4° | 109.5° |
| O4 | P4 | O41 | 108.0° | 109.4° |
| O42 | P4 | O43 | 112.9° | 109.5° |
| O42 | P4 | O41 | 115.3° | 109.5° |
| O43 | P4 | O41 | 104.2° | 109.4° |
| P4 | O43 | HO43 | 109.5° | 114.0° |
| P4 | O41 | HO41 | 109.5° | 114.0° |
| O5 | C5 | C6 | 112.2° | 109.5° |
| O5 | C5 | H5 | 108.4° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 105.8° | 109.5° |
| C5 | C6 | O6 | 110.9° | 109.5° |
| C5 | C6 | H6 | 108.4° | 109.5° |
| O6 | C6 | H6 | 108.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C8 | C7 | O13 | 112.5° | 109.5° |
| C8 | C7 | H7 | 108.5° | 109.5° |
| C8 | C7 | H7A | 108.5° | 109.5° |
| C7 | C8 | O16 | 108.8° | 109.5° |
| C7 | C8 | C9 | 114.6° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| O13 | C7 | H7 | 108.5° | 109.4° |
| O13 | C7 | H7A | 108.5° | 109.4° |
| H7 | C7 | H7A | 110.5° | 109.5° |
| O16 | C8 | C9 | 114.6° | 109.5° |
| O16 | C8 | H8 | 108.4° | 109.4° |
| C8 | O16 | C10 | 121.9° | 117.0° |
| C9 | C8 | H8 | 101.6° | 109.5° |
| C8 | C9 | O18 | 107.7° | 109.5° |
| C8 | C9 | H9 | 110.1° | 109.5° |
| C8 | C9 | H9A | 110.1° | 109.5° |
| O18 | C9 | H9 | 110.1° | 109.5° |
| O18 | C9 | H9A | 110.1° | 109.4° |
| C9 | O18 | C11 | 113.9° | 117.0° |
| H9 | C9 | H9A | 108.9° | 109.5° |
| O16 | C10 | C12 | 120.9° | 120.0° |
| O16 | C10 | O17 | 120.8° | 120.0° |
| C12 | C10 | O17 | 118.2° | 120.0° |
| C10 | C12 | C13 | 110.8° | 109.4° |
| C10 | C12 | H12 | 109.0° | 109.5° |
| C10 | C12 | H12A | 109.0° | 109.5° |
| O18 | C11 | O19 | 121.3° | 120.0° |
| O18 | C11 | C31 | 119.6° | 119.9° |
| O19 | C11 | C31 | 119.1° | 120.0° |
| C11 | C31 | C32 | 110.1° | 109.4° |
| C11 | C31 | H31 | 109.3° | 109.5° |
| C11 | C31 | H31A | 109.3° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.4° |
| C12 | C13 | C14 | 111.5° | 109.4° |
| C12 | C13 | H13 | 108.8° | 109.5° |
| C12 | C13 | H13A | 108.8° | 109.5° |
| H12 | C12 | H12A | 109.9° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C14 | C13 | H13A | 108.8° | 109.4° |
| C13 | C14 | C15 | 112.9° | 109.5° |
| C13 | C14 | H14 | 108.4° | 109.5° |
| C13 | C14 | H14A | 108.3° | 109.5° |
| H13 | C13 | H13A | 110.1° | 109.5° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C15 | C14 | H14A | 108.3° | 109.4° |
| C14 | C15 | C16 | 124.9° | 120.0° |
| C14 | C15 | H15 | 117.6° | 120.0° |
| H14 | C14 | H14A | 110.6° | 109.4° |
| C16 | C15 | H15 | 117.5° | 120.0° |
| C15 | C16 | C17 | 125.8° | 119.9° |
| C15 | C16 | H16 | 117.1° | 120.0° |
| C17 | C16 | H16 | 117.1° | 120.0° |
| C16 | C17 | C18 | 109.4° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C18 | C17 | H17 | 109.5° | 109.4° |
| C18 | C17 | H17A | 109.5° | 109.4° |
| C17 | C18 | C19 | 125.8° | 120.0° |
| C17 | C18 | H18 | 117.1° | 119.9° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| C19 | C18 | H18 | 117.1° | 120.1° |
| C18 | C19 | C20 | 125.5° | 120.0° |
| C18 | C19 | H19 | 117.2° | 120.0° |
| C20 | C19 | H19 | 117.2° | 120.0° |
| C19 | C20 | C21 | 109.3° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H20A | 109.5° | 109.5° |
| C21 | C20 | H20 | 109.5° | 109.5° |
| C21 | C20 | H20A | 109.5° | 109.5° |
| C20 | C21 | C22 | 124.7° | 120.0° |
| C20 | C21 | H21 | 117.7° | 120.0° |
| H20 | C20 | H20A | 109.4° | 109.4° |
| C22 | C21 | H21 | 117.6° | 120.0° |
| C21 | C22 | C23 | 124.7° | 120.0° |
| C21 | C22 | H22 | 117.7° | 120.0° |
| C23 | C22 | H22 | 117.7° | 120.0° |
| C22 | C23 | C24 | 109.3° | 109.4° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C24 | C23 | H23 | 109.5° | 109.4° |
| C24 | C23 | H23A | 109.5° | 109.4° |
| C23 | C24 | C25 | 124.3° | 120.0° |
| C23 | C24 | H24 | 117.8° | 120.0° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| C25 | C24 | H24 | 117.9° | 120.0° |
| C24 | C25 | C26 | 124.5° | 120.0° |
| C24 | C25 | H25 | 117.7° | 120.0° |
| C26 | C25 | H25 | 117.7° | 120.0° |
| C25 | C26 | C27 | 112.7° | 109.5° |
| C25 | C26 | H26 | 108.4° | 109.5° |
| C25 | C26 | H26A | 108.4° | 109.5° |
| C27 | C26 | H26 | 108.4° | 109.4° |
| C27 | C26 | H26A | 108.4° | 109.5° |
| C26 | C27 | C28 | 113.4° | 109.5° |
| C26 | C27 | H27 | 108.2° | 109.5° |
| C26 | C27 | H27A | 108.2° | 109.5° |
| H26 | C26 | H26A | 110.5° | 109.5° |
| C28 | C27 | H27 | 108.2° | 109.5° |
| C28 | C27 | H27A | 108.2° | 109.5° |
| C27 | C28 | C29 | 113.1° | 109.5° |
| C27 | C28 | H28 | 108.2° | 109.4° |
| C27 | C28 | H28A | 108.3° | 109.5° |
| H27 | C27 | H27A | 110.7° | 109.4° |
| C29 | C28 | H28 | 108.3° | 109.5° |
| C29 | C28 | H28A | 108.3° | 109.5° |
| C28 | C29 | C30 | 112.3° | 109.5° |
| C28 | C29 | H29 | 108.5° | 109.5° |
| C28 | C29 | H29A | 108.5° | 109.4° |
| H28 | C28 | H28A | 110.7° | 109.5° |
| C30 | C29 | H29 | 108.5° | 109.5° |
| C30 | C29 | H29A | 108.6° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H30A | 109.4° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| H29 | C29 | H29A | 110.4° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.4° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| C32 | C31 | H31 | 109.3° | 109.5° |
| C32 | C31 | H31A | 109.3° | 109.5° |
| C31 | C32 | C33 | 111.2° | 109.5° |
| C31 | C32 | H32 | 108.9° | 109.5° |
| C31 | C32 | H32A | 108.9° | 109.5° |
| H31 | C31 | H31A | 109.7° | 109.4° |
| C33 | C32 | H32 | 108.9° | 109.5° |
| C33 | C32 | H32A | 108.9° | 109.5° |
| C32 | C33 | C34 | 111.3° | 109.5° |
| C32 | C33 | H33 | 108.9° | 109.5° |
| C32 | C33 | H33A | 108.9° | 109.5° |
| H32 | C32 | H32A | 110.0° | 109.4° |
| C34 | C33 | H33 | 108.9° | 109.5° |
| C34 | C33 | H33A | 108.9° | 109.4° |
| C33 | C34 | C35 | 111.6° | 109.5° |
| C33 | C34 | H34 | 108.8° | 109.5° |
| C33 | C34 | H34A | 108.8° | 109.5° |
| H33 | C33 | H33A | 110.0° | 109.5° |
| C35 | C34 | H34 | 108.8° | 109.5° |
| C35 | C34 | H34A | 108.8° | 109.4° |
| C34 | C35 | C36 | 112.7° | 109.5° |
| C34 | C35 | H35 | 108.5° | 109.5° |
| C34 | C35 | H35A | 108.4° | 109.5° |
| H34 | C34 | H34A | 110.2° | 109.5° |
| C36 | C35 | H35 | 108.4° | 109.5° |
| C36 | C35 | H35A | 108.4° | 109.5° |
| C35 | C36 | C37 | 112.0° | 109.5° |
| C35 | C36 | H36 | 108.6° | 109.4° |
| C35 | C36 | H36A | 108.7° | 109.5° |
| H35 | C35 | H35A | 110.5° | 109.5° |
| C37 | C36 | H36 | 108.6° | 109.4° |
| C37 | C36 | H36A | 108.6° | 109.5° |
| C36 | C37 | C38 | 112.5° | 109.5° |
| C36 | C37 | H37 | 108.5° | 109.4° |
| C36 | C37 | H37A | 108.5° | 109.5° |
| H36 | C36 | H36A | 110.3° | 109.5° |
| C38 | C37 | H37 | 108.5° | 109.5° |
| C38 | C37 | H37A | 108.5° | 109.5° |
| C37 | C38 | C39 | 111.8° | 109.5° |
| C37 | C38 | H38 | 108.7° | 109.5° |
| C37 | C38 | H38A | 108.7° | 109.4° |
| H37 | C37 | H37A | 110.4° | 109.4° |
| C39 | C38 | H38 | 108.7° | 109.5° |
| C39 | C38 | H38A | 108.7° | 109.4° |
| C38 | C39 | C40 | 112.2° | 109.5° |
| C38 | C39 | H39 | 108.5° | 109.5° |
| C38 | C39 | H39A | 108.6° | 109.5° |
| H38 | C38 | H38A | 110.2° | 109.5° |
| C40 | C39 | H39 | 108.6° | 109.5° |
| C40 | C39 | H39A | 108.6° | 109.4° |
| C39 | C40 | C41 | 111.7° | 109.5° |
| C39 | C40 | H40 | 108.7° | 109.5° |
| C39 | C40 | H40A | 108.7° | 109.4° |
| H39 | C39 | H39A | 110.4° | 109.4° |
| C41 | C40 | H40 | 108.7° | 109.5° |
| C41 | C40 | H40A | 108.7° | 109.5° |
| C40 | C41 | C42 | 111.0° | 109.5° |
| C40 | C41 | H41 | 109.0° | 109.4° |
| C40 | C41 | H41A | 109.0° | 109.4° |
| H40 | C40 | H40A | 110.2° | 109.5° |
| C42 | C41 | H41 | 109.0° | 109.5° |
| C42 | C41 | H41A | 109.0° | 109.5° |
| C41 | C42 | C43 | 113.0° | 109.5° |
| C41 | C42 | H42 | 108.3° | 109.5° |
| C41 | C42 | H42A | 108.3° | 109.5° |
| H41 | C41 | H41A | 110.0° | 109.5° |
| C43 | C42 | H42 | 108.3° | 109.5° |
| C43 | C42 | H42A | 108.3° | 109.5° |
| C42 | C43 | C44 | 111.2° | 109.5° |
| C42 | C43 | H43 | 108.9° | 109.4° |
| C42 | C43 | H43A | 108.9° | 109.4° |
| H42 | C42 | H42A | 110.6° | 109.5° |
| C44 | C43 | H43 | 108.9° | 109.5° |
| C44 | C43 | H43A | 108.9° | 109.5° |
| C43 | C44 | C45 | 112.4° | 109.5° |
| C43 | C44 | H44 | 108.5° | 109.4° |
| C43 | C44 | H44A | 108.5° | 109.5° |
| H43 | C43 | H43A | 110.1° | 109.5° |
| C45 | C44 | H44 | 108.5° | 109.5° |
| C45 | C44 | H44A | 108.5° | 109.5° |
| C44 | C45 | C46 | 112.0° | 109.4° |
| C44 | C45 | H45 | 108.6° | 109.5° |
| C44 | C45 | H45A | 108.6° | 109.4° |
| H44 | C44 | H44A | 110.4° | 109.4° |
| C46 | C45 | H45 | 108.7° | 109.5° |
| C46 | C45 | H45A | 108.6° | 109.5° |
| C45 | C46 | H46 | 109.5° | 109.5° |
| C45 | C46 | H46A | 109.5° | 109.5° |
| C45 | C46 | H46B | 109.5° | 109.4° |
| H45 | C45 | H45A | 110.3° | 109.5° |
| H46 | C46 | H46A | 109.5° | 109.4° |
| H46 | C46 | H46B | 109.5° | 109.5° |
| H46A | C46 | H46B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | O1 | 121.6° | 120.0° |
| C6 | C1 | C2 | H1 | 119.0° | 120.0° |
| C6 | C1 | O1 | H1 | 119.0° | 120.0° |
| C6 | C1 | O1 | P1 | 66.6° | 120.0° |
| C6 | C1 | C2 | C3 | 57.6° | 60.0° |
| C6 | C1 | C2 | O2 | 176.2° | 180.0° |
| C6 | C1 | C2 | H2 | 63.5° | 60.0° |
| C1 | C6 | C5 | C4 | 55.7° | 60.0° |
| C1 | C6 | C5 | O5 | 179.8° | 180.0° |
| C1 | C6 | C5 | O6 | 121.2° | 120.0° |
| C1 | C6 | C5 | H6 | 119.7° | 120.0° |
| C1 | C6 | C5 | H5 | 62.3° | 60.0° |
| C1 | C6 | O6 | H6 | 119.7° | 120.0° |
| C1 | C6 | O6 | HO6 | 180.0° | 179.9° |
| C2 | C1 | O1 | H1 | 119.2° | 120.0° |
| C2 | C1 | O1 | P1 | 171.5° | 120.0° |
| C1 | C2 | C3 | O2 | 121.6° | 120.0° |
| C1 | C2 | C3 | H2 | 118.1° | 120.0° |
| C1 | C2 | O2 | H2 | 118.0° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 59.0° | 60.0° |
| C1 | C2 | C3 | O3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 59.8° | 59.9° |
| C2 | C1 | C6 | C5 | 55.4° | 60.0° |
| C2 | C1 | C6 | O6 | 66.6° | 60.0° |
| C2 | C1 | C6 | H6 | 174.4° | 180.0° |
| C1 | O1 | P1 | O13 | 98.3° | 175.0° |
| C1 | O1 | P1 | O11 | 31.9° | 55.0° |
| C1 | O1 | P1 | O12 | 154.5° | 65.0° |
| O1 | C1 | C2 | C3 | 179.2° | 180.0° |
| O1 | C1 | C2 | O2 | 62.2° | 60.0° |
| O1 | C1 | C2 | H2 | 58.1° | 60.0° |
| O1 | C1 | C6 | C5 | 176.9° | 180.0° |
| O1 | C1 | C6 | O6 | 54.9° | 60.0° |
| O1 | C1 | C6 | H6 | 64.1° | 60.0° |
| H1 | C1 | O1 | P1 | 52.4° | 0.0° |
| H1 | C1 | C2 | C3 | 61.4° | 60.0° |
| H1 | C1 | C2 | O2 | 57.2° | 59.9° |
| H1 | C1 | C2 | H2 | 177.5° | 180.0° |
| H1 | C1 | C6 | C5 | 63.7° | 60.0° |
| H1 | C1 | C6 | O6 | 174.3° | 179.9° |
| H1 | C1 | C6 | H6 | 55.3° | 59.9° |
| O1 | P1 | O13 | O11 | 129.8° | 120.0° |
| O1 | P1 | O13 | O12 | 110.0° | 120.0° |
| O1 | P1 | O11 | O12 | 119.4° | 120.0° |
| O1 | P1 | O13 | C7 | 124.6° | 175.0° |
| O1 | P1 | O12 | HO12 | 125.1° | 59.9° |
| O13 | P1 | O11 | O12 | 114.7° | 120.0° |
| P1 | O13 | C7 | C8 | 162.9° | 180.0° |
| P1 | O13 | C7 | H7 | 77.1° | 60.0° |
| P1 | O13 | C7 | H7A | 42.9° | 60.0° |
| O13 | P1 | O12 | HO12 | 123.5° | 60.1° |
| O11 | P1 | O13 | C7 | 5.2° | 55.0° |
| O11 | P1 | O12 | HO12 | 0.0° | 179.9° |
| O12 | P1 | O13 | C7 | 125.4° | 65.0° |
| C3 | C2 | O2 | H2 | 121.2° | 120.0° |
| C3 | C2 | O2 | HO2 | 59.2° | 60.0° |
| C2 | C3 | C4 | O3 | 120.9° | 120.0° |
| C2 | C3 | C4 | H3 | 118.9° | 120.0° |
| C2 | C3 | O3 | H3 | 118.9° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 175.3° | 180.0° |
| C2 | C3 | C4 | C5 | 57.9° | 59.9° |
| C2 | C3 | C4 | H4 | 62.7° | 60.0° |
| O2 | C2 | C3 | C4 | 179.3° | 180.0° |
| O2 | C2 | C3 | O3 | 58.3° | 60.0° |
| O2 | C2 | C3 | H3 | 61.8° | 60.1° |
| H2 | C2 | O2 | HO2 | 62.0° | 60.0° |
| H2 | C2 | C3 | C4 | 59.0° | 60.0° |
| H2 | C2 | C3 | O3 | 62.0° | 60.0° |
| H2 | C2 | C3 | H3 | 177.8° | 179.9° |
| C4 | C3 | O3 | H3 | 118.9° | 119.9° |
| C4 | C3 | O3 | HO3 | 57.8° | 179.9° |
| C3 | C4 | O4 | C5 | 118.2° | 120.0° |
| C3 | C4 | O4 | H4 | 121.2° | 119.9° |
| C3 | C4 | C5 | H4 | 121.3° | 119.9° |
| C3 | C4 | O4 | P4 | 121.4° | 120.0° |
| C3 | C4 | C5 | O5 | 178.1° | 180.0° |
| C3 | C4 | C5 | C6 | 56.5° | 60.0° |
| C3 | C4 | C5 | H5 | 59.9° | 60.0° |
| O3 | C3 | C4 | O4 | 63.7° | 60.0° |
| O3 | C3 | C4 | C5 | 178.8° | 180.0° |
| O3 | C3 | C4 | H4 | 58.2° | 60.0° |
| H3 | C3 | O3 | HO3 | 61.1° | 60.0° |
| H3 | C3 | C4 | O4 | 56.5° | 60.0° |
| H3 | C3 | C4 | C5 | 61.0° | 60.0° |
| H3 | C3 | C4 | H4 | 178.4° | 180.0° |
| O4 | C4 | C5 | H4 | 122.0° | 120.1° |
| C4 | O4 | P4 | O42 | 165.1° | 55.0° |
| C4 | O4 | P4 | O43 | 42.9° | 65.0° |
| C4 | O4 | P4 | O41 | 68.0° | 175.1° |
| O4 | C4 | C5 | O5 | 61.4° | 60.0° |
| O4 | C4 | C5 | C6 | 173.3° | 180.0° |
| O4 | C4 | C5 | H5 | 56.8° | 60.0° |
| C5 | C4 | O4 | P4 | 120.3° | 120.0° |
| C4 | C5 | O5 | C6 | 125.4° | 120.0° |
| C4 | C5 | O5 | H5 | 118.2° | 119.9° |
| C4 | C5 | C6 | H5 | 118.0° | 120.0° |
| C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 65.5° | 60.0° |
| C4 | C5 | C6 | H6 | 175.5° | 180.0° |
| H4 | C4 | O4 | P4 | 0.2° | 0.0° |
| H4 | C4 | C5 | O5 | 60.6° | 60.1° |
| H4 | C4 | C5 | C6 | 64.8° | 60.0° |
| H4 | C4 | C5 | H5 | 178.8° | 179.9° |
| O4 | P4 | O42 | O43 | 117.7° | 120.0° |
| O4 | P4 | O42 | O41 | 122.8° | 120.0° |
| O4 | P4 | O43 | O41 | 113.6° | 119.9° |
| O4 | P4 | O41 | HO41 | 124.0° | 180.0° |
| O4 | P4 | O43 | HO43 | 120.7° | 59.9° |
| O42 | P4 | O43 | O41 | 125.7° | 120.1° |
| O42 | P4 | O41 | HO41 | 0.0° | 60.0° |
| O42 | P4 | O43 | HO43 | 0.0° | 179.9° |
| O43 | P4 | O41 | HO41 | 124.2° | 60.1° |
| O41 | P4 | O43 | HO43 | 125.7° | 60.0° |
| O5 | C5 | C6 | H5 | 118.0° | 120.1° |
| O5 | C5 | C6 | O6 | 58.5° | 60.0° |
| O5 | C5 | C6 | H6 | 60.5° | 60.0° |
| C6 | C5 | O5 | HO5 | 54.6° | 60.0° |
| C5 | C6 | O6 | H6 | 119.0° | 120.0° |
| C5 | C6 | O6 | HO6 | 58.7° | 60.0° |
| H5 | C5 | O5 | HO5 | 61.8° | 60.1° |
| H5 | C5 | C6 | O6 | 176.5° | 180.0° |
| H5 | C5 | C6 | H6 | 57.5° | 60.0° |
| H6 | C6 | O6 | HO6 | 60.3° | 60.0° |
| C8 | C7 | O13 | H7 | 120.0° | 120.0° |
| C8 | C7 | O13 | H7A | 120.0° | 120.0° |
| C8 | C7 | H7 | H7A | 118.8° | 120.1° |
| C7 | C8 | O16 | C9 | 129.7° | 120.0° |
| C7 | C8 | O16 | H8 | 117.6° | 120.0° |
| C7 | C8 | C9 | H8 | 116.6° | 120.0° |
| C7 | C8 | C9 | O18 | 178.2° | 55.0° |
| C7 | C8 | C9 | H9 | 58.2° | 175.0° |
| C7 | C8 | C9 | H9A | 61.8° | 65.0° |
| C7 | C8 | O16 | C10 | 84.9° | 90.0° |
| O13 | C7 | H7 | H7A | 118.8° | 119.9° |
| O13 | C7 | C8 | O16 | 158.1° | 65.0° |
| O13 | C7 | C8 | C9 | 28.4° | 55.0° |
| O13 | C7 | C8 | H8 | 84.2° | 175.0° |
| H7 | C7 | C8 | O16 | 81.9° | 175.0° |
| H7 | C7 | C8 | C9 | 148.4° | 65.0° |
| H7 | C7 | C8 | H8 | 35.7° | 55.1° |
| H7A | C7 | C8 | O16 | 38.1° | 55.0° |
| H7A | C7 | C8 | C9 | 91.6° | 175.0° |
| H7A | C7 | C8 | H8 | 155.8° | 65.0° |
| O16 | C8 | C9 | H8 | 116.7° | 120.0° |
| O16 | C8 | C9 | O18 | 55.1° | 65.0° |
| O16 | C8 | C9 | H9 | 175.1° | 55.0° |
| O16 | C8 | C9 | H9A | 64.9° | 175.0° |
| C8 | O16 | C10 | C12 | 130.3° | 180.0° |
| C8 | O16 | C10 | O17 | 53.1° | 0.0° |
| C8 | C9 | O18 | H9 | 120.0° | 120.1° |
| C8 | C9 | O18 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 120.7° | 120.0° |
| C9 | C8 | O16 | C10 | 44.8° | 150.0° |
| C8 | C9 | O18 | C11 | 123.1° | 180.0° |
| H8 | C8 | C9 | O18 | 61.6° | 175.0° |
| H8 | C8 | C9 | H9 | 58.4° | 65.0° |
| H8 | C8 | C9 | H9A | 178.4° | 55.0° |
| H8 | C8 | O16 | C10 | 157.5° | 30.0° |
| O18 | C9 | H9 | H9A | 120.8° | 120.0° |
| C9 | O18 | C11 | O19 | 23.2° | 0.1° |
| C9 | O18 | C11 | C31 | 156.0° | 180.0° |
| H9 | C9 | O18 | C11 | 3.1° | 59.9° |
| H9A | C9 | O18 | C11 | 116.9° | 60.1° |
| O16 | C10 | C12 | O17 | 176.7° | 180.0° |
| O16 | C10 | C12 | C13 | 97.2° | 180.0° |
| O16 | C10 | C12 | H12 | 142.8° | 60.1° |
| O16 | C10 | C12 | H12A | 22.8° | 60.0° |
| C10 | C12 | C13 | H12 | 120.0° | 120.0° |
| C10 | C12 | C13 | H12A | 120.0° | 120.0° |
| C10 | C12 | H12 | H12A | 119.5° | 120.1° |
| C10 | C12 | C13 | C14 | 101.0° | 180.0° |
| C10 | C12 | C13 | H13 | 139.0° | 60.0° |
| C10 | C12 | C13 | H13A | 19.0° | 60.0° |
| O17 | C10 | C12 | C13 | 86.1° | 0.0° |
| O17 | C10 | C12 | H12 | 33.9° | 120.0° |
| O17 | C10 | C12 | H12A | 153.9° | 119.9° |
| O18 | C11 | O19 | C31 | 179.2° | 179.9° |
| O18 | C11 | C31 | C32 | 83.6° | 180.0° |
| O18 | C11 | C31 | H31 | 36.4° | 60.0° |
| O18 | C11 | C31 | H31A | 156.4° | 60.0° |
| O19 | C11 | C31 | C32 | 95.7° | 0.0° |
| O19 | C11 | C31 | H31 | 144.3° | 120.0° |
| O19 | C11 | C31 | H31A | 24.3° | 120.0° |
| C11 | C31 | C32 | H31 | 120.0° | 120.0° |
| C11 | C31 | C32 | H31A | 120.0° | 120.0° |
| C11 | C31 | H31 | H31A | 119.8° | 120.0° |
| C11 | C31 | C32 | C33 | 87.7° | 180.0° |
| C11 | C31 | C32 | H32 | 32.3° | 60.0° |
| C11 | C31 | C32 | H32A | 152.3° | 60.0° |
| C13 | C12 | H12 | H12A | 119.5° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 119.2° | 120.0° |
| C12 | C13 | C14 | C15 | 110.6° | 180.0° |
| C12 | C13 | C14 | H14 | 129.4° | 59.9° |
| C12 | C13 | C14 | H14A | 9.4° | 60.0° |
| H12 | C12 | C13 | C14 | 19.0° | 60.0° |
| H12 | C12 | C13 | H13 | 101.0° | NaN° |
| H12 | C12 | C13 | H13A | 139.0° | 59.9° |
| H12A | C12 | C13 | C14 | 139.0° | 60.1° |
| H12A | C12 | C13 | H13 | 19.0° | 60.0° |
| H12A | C12 | C13 | H13A | 101.0° | 180.0° |
| C14 | C13 | H13 | H13A | 119.2° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.1° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 118.6° | 120.0° |
| C13 | C14 | C15 | C16 | 82.5° | 127.6° |
| C13 | C14 | C15 | H15 | 97.5° | 52.3° |
| H13 | C13 | C14 | C15 | 9.4° | 60.0° |
| H13 | C13 | C14 | H14 | 110.6° | 179.9° |
| H13 | C13 | C14 | H14A | 129.4° | 59.9° |
| H13A | C13 | C14 | C15 | 129.4° | 60.1° |
| H13A | C13 | C14 | H14 | 9.4° | 60.0° |
| H13A | C13 | C14 | H14A | 110.6° | 180.0° |
| C15 | C14 | H14 | H14A | 118.6° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.8° | 7.3° |
| C14 | C15 | C16 | H16 | 178.2° | 172.7° |
| H14 | C14 | C15 | C16 | 37.5° | 7.6° |
| H14 | C14 | C15 | H15 | 142.5° | 172.4° |
| H14A | C14 | C15 | C16 | 157.5° | 112.4° |
| H14A | C14 | C15 | H15 | 22.5° | 67.6° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 110.1° | 126.4° |
| C15 | C16 | C17 | H17 | 9.9° | 113.7° |
| C15 | C16 | C17 | H17A | 129.9° | 6.4° |
| H15 | C15 | C16 | C17 | 178.2° | 172.7° |
| H15 | C15 | C16 | H16 | 1.8° | 7.3° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17A | 120.1° | 120.1° |
| C16 | C17 | C18 | C19 | 152.7° | 127.6° |
| C16 | C17 | C18 | H18 | 27.3° | 52.4° |
| H16 | C16 | C17 | C18 | 69.9° | 53.6° |
| H16 | C16 | C17 | H17 | 170.1° | 66.3° |
| H16 | C16 | C17 | H17A | 50.1° | 173.6° |
| C18 | C17 | H17 | H17A | 120.0° | 119.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 7.3° |
| C17 | C18 | C19 | H19 | 179.5° | 172.7° |
| H17 | C17 | C18 | C19 | 87.3° | 7.6° |
| H17 | C17 | C18 | H18 | 92.7° | 172.4° |
| H17A | C17 | C18 | C19 | 32.7° | 112.4° |
| H17A | C17 | C18 | H18 | 147.3° | 67.6° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 122.2° | 126.4° |
| C18 | C19 | C20 | H20 | 117.8° | 113.6° |
| C18 | C19 | C20 | H20A | 2.2° | 6.4° |
| H18 | C18 | C19 | C20 | 179.5° | 172.7° |
| H18 | C18 | C19 | H19 | 0.5° | 7.2° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 142.4° | 126.8° |
| C19 | C20 | C21 | H21 | 37.6° | 53.2° |
| H19 | C19 | C20 | C21 | 57.8° | 53.6° |
| H19 | C19 | C20 | H20 | 62.2° | 66.4° |
| H19 | C19 | C20 | H20A | 177.8° | 173.6° |
| C21 | C20 | H20 | H20A | 120.1° | 120.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 7.8° |
| C20 | C21 | C22 | H22 | 180.0° | 172.2° |
| H20 | C20 | C21 | C22 | 22.4° | 6.8° |
| H20 | C20 | C21 | H21 | 157.6° | 173.2° |
| H20A | C20 | C21 | C22 | 97.6° | 113.2° |
| H20A | C20 | C21 | H21 | 82.4° | 66.8° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 116.5° | 126.8° |
| C21 | C22 | C23 | H23 | 123.5° | 113.2° |
| C21 | C22 | C23 | H23A | 3.5° | 6.9° |
| H21 | C21 | C22 | C23 | 179.9° | 172.2° |
| H21 | C21 | C22 | H22 | 0.0° | 7.8° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23A | 120.1° | 120.1° |
| C22 | C23 | C24 | C25 | 167.6° | 126.4° |
| C22 | C23 | C24 | H24 | 12.4° | 53.7° |
| H22 | C22 | C23 | C24 | 63.5° | 53.2° |
| H22 | C22 | C23 | H23 | 56.5° | 66.7° |
| H22 | C22 | C23 | H23A | 176.5° | 173.2° |
| C24 | C23 | H23 | H23A | 120.1° | 119.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.5° | 7.3° |
| C23 | C24 | C25 | H25 | 179.6° | 172.8° |
| H23 | C23 | C24 | C25 | 47.7° | 6.4° |
| H23 | C23 | C24 | H24 | 132.4° | 173.7° |
| H23A | C23 | C24 | C25 | 72.3° | 113.6° |
| H23A | C23 | C24 | H24 | 107.6° | 66.3° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 133.1° | 127.7° |
| C24 | C25 | C26 | H26 | 13.1° | 112.4° |
| C24 | C25 | C26 | H26A | 106.9° | 7.6° |
| H24 | C24 | C25 | C26 | 179.5° | 172.6° |
| H24 | C24 | C25 | H25 | 0.5° | 7.3° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 118.7° | 120.0° |
| C25 | C26 | C27 | C28 | 76.3° | 180.0° |
| C25 | C26 | C27 | H27 | 43.7° | 60.0° |
| C25 | C26 | C27 | H27A | 163.8° | 59.9° |
| H25 | C25 | C26 | C27 | 46.9° | 52.3° |
| H25 | C25 | C26 | H26 | 166.9° | 67.6° |
| H25 | C25 | C26 | H26A | 73.1° | 172.3° |
| C27 | C26 | H26 | H26A | 118.7° | 120.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 118.4° | 120.0° |
| C26 | C27 | C28 | C29 | 94.6° | 180.0° |
| C26 | C27 | C28 | H28 | 25.4° | 60.0° |
| C26 | C27 | C28 | H28A | 145.4° | 60.0° |
| H26 | C26 | C27 | C28 | 163.7° | 60.0° |
| H26 | C26 | C27 | H27 | 76.3° | 180.0° |
| H26 | C26 | C27 | H27A | 43.7° | 60.0° |
| H26A | C26 | C27 | C28 | 43.7° | 60.0° |
| H26A | C26 | C27 | H27 | 163.7° | 60.0° |
| H26A | C26 | C27 | H27A | 76.3° | 179.9° |
| C28 | C27 | H27 | H27A | 118.4° | 120.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28A | 118.5° | 120.0° |
| C27 | C28 | C29 | C30 | 78.6° | 180.0° |
| C27 | C28 | C29 | H29 | 41.3° | 60.0° |
| C27 | C28 | C29 | H29A | 161.3° | 60.0° |
| H27 | C27 | C28 | C29 | 145.4° | 60.0° |
| H27 | C27 | C28 | H28 | 94.6° | 180.0° |
| H27 | C27 | C28 | H28A | 25.4° | 60.0° |
| H27A | C27 | C28 | C29 | 25.4° | 60.0° |
| H27A | C27 | C28 | H28 | 145.4° | 60.0° |
| H27A | C27 | C28 | H28A | 94.6° | 180.0° |
| C29 | C28 | H28 | H28A | 118.5° | 120.0° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29A | 118.8° | 119.9° |
| C28 | C29 | C30 | H30 | 180.0° | 60.1° |
| C28 | C29 | C30 | H30A | 60.0° | 180.0° |
| C28 | C29 | C30 | H30B | 60.0° | 60.0° |
| H28 | C28 | C29 | C30 | 161.4° | 60.0° |
| H28 | C28 | C29 | H29 | 78.6° | 179.9° |
| H28 | C28 | C29 | H29A | 41.4° | 60.0° |
| H28A | C28 | C29 | C30 | 41.4° | 60.1° |
| H28A | C28 | C29 | H29 | 161.4° | 60.0° |
| H28A | C28 | C29 | H29A | 78.7° | 180.0° |
| C30 | C29 | H29 | H29A | 118.9° | 120.0° |
| C29 | C30 | H30 | H30A | 120.0° | 119.9° |
| C29 | C30 | H30 | H30B | 120.0° | 120.1° |
| C29 | C30 | H30A | H30B | 120.0° | 120.1° |
| H29 | C29 | C30 | H30 | 60.0° | 59.9° |
| H29 | C29 | C30 | H30A | 180.0° | 60.0° |
| H29 | C29 | C30 | H30B | 60.0° | NaN° |
| H29A | C29 | C30 | H30 | 60.0° | 180.0° |
| H29A | C29 | C30 | H30A | 60.0° | 60.1° |
| H29A | C29 | C30 | H30B | 180.0° | 60.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| C32 | C31 | H31 | H31A | 119.7° | 120.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32A | 119.3° | 120.0° |
| C31 | C32 | C33 | C34 | 149.8° | 180.0° |
| C31 | C32 | C33 | H33 | 90.2° | 60.0° |
| C31 | C32 | C33 | H33A | 29.8° | 60.0° |
| H31 | C31 | C32 | C33 | 152.3° | 60.0° |
| H31 | C31 | C32 | H32 | 87.7° | 180.0° |
| H31 | C31 | C32 | H32A | 32.3° | 60.0° |
| H31A | C31 | C32 | C33 | 32.3° | 60.0° |
| H31A | C31 | C32 | H32 | 152.4° | 60.0° |
| H31A | C31 | C32 | H32A | 87.6° | 180.0° |
| C33 | C32 | H32 | H32A | 119.3° | 120.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33A | 119.3° | 120.0° |
| C32 | C33 | C34 | C35 | 107.9° | 180.0° |
| C32 | C33 | C34 | H34 | 132.1° | 60.0° |
| C32 | C33 | C34 | H34A | 12.1° | 60.0° |
| H32 | C32 | C33 | C34 | 29.8° | 60.0° |
| H32 | C32 | C33 | H33 | 149.8° | NaN° |
| H32 | C32 | C33 | H33A | 90.2° | 60.0° |
| H32A | C32 | C33 | C34 | 90.2° | 60.0° |
| H32A | C32 | C33 | H33 | 29.8° | 60.0° |
| H32A | C32 | C33 | H33A | 149.8° | 179.9° |
| C34 | C33 | H33 | H33A | 119.2° | 120.0° |
| C33 | C34 | C35 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C33 | C34 | H34 | H34A | 119.2° | 120.0° |
| C33 | C34 | C35 | C36 | 154.5° | 180.0° |
| C33 | C34 | C35 | H35 | 34.5° | 60.0° |
| C33 | C34 | C35 | H35A | 85.5° | 60.0° |
| H33 | C33 | C34 | C35 | 12.2° | 60.0° |
| H33 | C33 | C34 | H34 | 107.9° | 180.0° |
| H33 | C33 | C34 | H34A | 132.1° | 60.0° |
| H33A | C33 | C34 | C35 | 132.1° | 60.0° |
| H33A | C33 | C34 | H34 | 12.1° | 60.0° |
| H33A | C33 | C34 | H34A | 107.9° | 180.0° |
| C35 | C34 | H34 | H34A | 119.1° | 120.0° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35A | 118.7° | 120.0° |
| C34 | C35 | C36 | C37 | 70.1° | 180.0° |
| C34 | C35 | C36 | H36 | 169.9° | 60.0° |
| C34 | C35 | C36 | H36A | 49.9° | 60.0° |
| H34 | C34 | C35 | C36 | 85.5° | 60.0° |
| H34 | C34 | C35 | H35 | 154.5° | 180.0° |
| H34 | C34 | C35 | H35A | 34.5° | 60.0° |
| H34A | C34 | C35 | C36 | 34.5° | 60.0° |
| H34A | C34 | C35 | H35 | 85.5° | 60.0° |
| H34A | C34 | C35 | H35A | 154.5° | 180.0° |
| C36 | C35 | H35 | H35A | 118.7° | 120.0° |
| C35 | C36 | C37 | H36 | 120.0° | 119.9° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36A | 119.0° | 120.0° |
| C35 | C36 | C37 | C38 | 158.0° | 180.0° |
| C35 | C36 | C37 | H37 | 82.0° | 60.0° |
| C35 | C36 | C37 | H37A | 38.0° | 59.9° |
| H35 | C35 | C36 | C37 | 49.9° | 60.0° |
| H35 | C35 | C36 | H36 | 70.1° | 180.0° |
| H35 | C35 | C36 | H36A | 169.9° | 60.0° |
| H35A | C35 | C36 | C37 | 169.9° | 60.0° |
| H35A | C35 | C36 | H36 | 49.9° | 59.9° |
| H35A | C35 | C36 | H36A | 70.1° | 180.0° |
| C37 | C36 | H36 | H36A | 119.0° | 120.0° |
| C36 | C37 | C38 | H37 | 120.0° | 120.0° |
| C36 | C37 | C38 | H37A | 120.0° | 120.0° |
| C36 | C37 | H37 | H37A | 118.8° | 120.0° |
| C36 | C37 | C38 | C39 | 167.4° | 180.0° |
| C36 | C37 | C38 | H38 | 47.4° | 60.0° |
| C36 | C37 | C38 | H38A | 72.6° | 60.0° |
| H36 | C36 | C37 | C38 | 38.0° | 60.0° |
| H36 | C36 | C37 | H37 | 158.0° | 179.9° |
| H36 | C36 | C37 | H37A | 82.0° | 60.0° |
| H36A | C36 | C37 | C38 | 82.0° | 60.0° |
| H36A | C36 | C37 | H37 | 38.0° | 60.0° |
| H36A | C36 | C37 | H37A | 158.0° | 180.0° |
| C38 | C37 | H37 | H37A | 118.8° | 120.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.1° |
| C37 | C38 | C39 | H38A | 120.0° | 119.9° |
| C37 | C38 | H38 | H38A | 119.0° | 120.0° |
| C37 | C38 | C39 | C40 | 95.1° | 180.0° |
| C37 | C38 | C39 | H39 | 24.9° | 59.9° |
| C37 | C38 | C39 | H39A | 144.9° | 60.0° |
| H37 | C37 | C38 | C39 | 72.6° | 60.0° |
| H37 | C37 | C38 | H38 | 167.4° | 180.0° |
| H37 | C37 | C38 | H38A | 47.4° | 60.0° |
| H37A | C37 | C38 | C39 | 47.4° | 60.0° |
| H37A | C37 | C38 | H38 | 72.6° | 60.0° |
| H37A | C37 | C38 | H38A | 167.4° | 180.0° |
| C39 | C38 | H38 | H38A | 119.1° | 120.0° |
| C38 | C39 | C40 | H39 | 120.0° | 120.0° |
| C38 | C39 | C40 | H39A | 120.0° | 120.0° |
| C38 | C39 | H39 | H39A | 118.9° | 120.0° |
| C38 | C39 | C40 | C41 | 154.5° | 180.0° |
| C38 | C39 | C40 | H40 | 85.5° | 60.0° |
| C38 | C39 | C40 | H40A | 34.5° | 60.0° |
| H38 | C38 | C39 | C40 | 144.9° | 60.0° |
| H38 | C38 | C39 | H39 | 95.1° | 180.0° |
| H38 | C38 | C39 | H39A | 24.9° | 60.0° |
| H38A | C38 | C39 | C40 | 24.9° | 60.0° |
| H38A | C38 | C39 | H39 | 144.9° | 60.0° |
| H38A | C38 | C39 | H39A | 95.1° | 179.9° |
| C40 | C39 | H39 | H39A | 118.9° | 119.9° |
| C39 | C40 | C41 | H40 | 120.0° | 120.0° |
| C39 | C40 | C41 | H40A | 120.0° | 120.0° |
| C39 | C40 | H40 | H40A | 119.1° | 120.0° |
| C39 | C40 | C41 | C42 | 179.1° | 180.0° |
| C39 | C40 | C41 | H41 | 59.1° | 60.0° |
| C39 | C40 | C41 | H41A | 60.9° | 60.0° |
| H39 | C39 | C40 | C41 | 34.5° | 60.0° |
| H39 | C39 | C40 | H40 | 154.5° | 180.0° |
| H39 | C39 | C40 | H40A | 85.5° | 60.0° |
| H39A | C39 | C40 | C41 | 85.5° | 59.9° |
| H39A | C39 | C40 | H40 | 34.5° | 60.1° |
| H39A | C39 | C40 | H40A | 154.5° | 179.9° |
| C41 | C40 | H40 | H40A | 119.1° | 120.0° |
| C40 | C41 | C42 | H41 | 120.0° | 120.0° |
| C40 | C41 | C42 | H41A | 120.0° | 120.0° |
| C40 | C41 | H41 | H41A | 119.4° | 120.0° |
| C40 | C41 | C42 | C43 | 172.7° | NaN° |
| C40 | C41 | C42 | H42 | 67.3° | 60.0° |
| C40 | C41 | C42 | H42A | 52.6° | 60.0° |
| H40 | C40 | C41 | C42 | 60.8° | 60.0° |
| H40 | C40 | C41 | H41 | 179.1° | 180.0° |
| H40 | C40 | C41 | H41A | 59.1° | 60.0° |
| H40A | C40 | C41 | C42 | 59.2° | 60.0° |
| H40A | C40 | C41 | H41 | 60.9° | 59.9° |
| H40A | C40 | C41 | H41A | 179.1° | 180.0° |
| C42 | C41 | H41 | H41A | 119.4° | 120.1° |
| C41 | C42 | C43 | H42 | 120.0° | 120.0° |
| C41 | C42 | C43 | H42A | 120.0° | 120.0° |
| C41 | C42 | H42 | H42A | 118.5° | 120.0° |
| C41 | C42 | C43 | C44 | 107.8° | 180.0° |
| C41 | C42 | C43 | H43 | 132.2° | 60.0° |
| C41 | C42 | C43 | H43A | 12.2° | 60.0° |
| H41 | C41 | C42 | C43 | 52.6° | 60.0° |
| H41 | C41 | C42 | H42 | 172.6° | 179.9° |
| H41 | C41 | C42 | H42A | 67.4° | 59.9° |
| H41A | C41 | C42 | C43 | 67.4° | 60.0° |
| H41A | C41 | C42 | H42 | 52.7° | 60.0° |
| H41A | C41 | C42 | H42A | 172.6° | 180.0° |
| C43 | C42 | H42 | H42A | 118.6° | 120.0° |
| C42 | C43 | C44 | H43 | 120.0° | 120.0° |
| C42 | C43 | C44 | H43A | 120.0° | 120.0° |
| C42 | C43 | H43 | H43A | 119.3° | 120.0° |
| C42 | C43 | C44 | C45 | 85.3° | NaN° |
| C42 | C43 | C44 | H44 | 154.7° | 60.0° |
| C42 | C43 | C44 | H44A | 34.7° | 59.9° |
| H42 | C42 | C43 | C44 | 12.2° | 60.0° |
| H42 | C42 | C43 | H43 | 107.7° | 180.0° |
| H42 | C42 | C43 | H43A | 132.2° | 60.0° |
| H42A | C42 | C43 | C44 | 132.2° | 60.0° |
| H42A | C42 | C43 | H43 | 12.2° | 59.9° |
| H42A | C42 | C43 | H43A | 107.8° | 180.0° |
| C44 | C43 | H43 | H43A | 119.3° | 120.1° |
| C43 | C44 | C45 | H44 | 120.0° | 120.0° |
| C43 | C44 | C45 | H44A | 120.0° | 120.0° |
| C43 | C44 | H44 | H44A | 118.8° | 120.0° |
| C43 | C44 | C45 | C46 | 158.7° | 180.0° |
| C43 | C44 | C45 | H45 | 38.7° | 60.0° |
| C43 | C44 | C45 | H45A | 81.3° | 60.0° |
| H43 | C43 | C44 | C45 | 34.7° | 60.0° |
| H43 | C43 | C44 | H44 | 85.3° | 179.9° |
| H43 | C43 | C44 | H44A | 154.7° | 60.0° |
| H43A | C43 | C44 | C45 | 154.8° | 60.0° |
| H43A | C43 | C44 | H44 | 34.8° | 60.0° |
| H43A | C43 | C44 | H44A | 85.2° | 179.9° |
| C45 | C44 | H44 | H44A | 118.8° | 120.0° |
| C44 | C45 | C46 | H45 | 120.0° | 120.0° |
| C44 | C45 | C46 | H45A | 120.0° | 119.9° |
| C44 | C45 | H45 | H45A | 119.0° | 120.0° |
| C44 | C45 | C46 | H46 | 180.0° | 60.0° |
| C44 | C45 | C46 | H46A | 60.0° | 60.0° |
| C44 | C45 | C46 | H46B | 60.0° | 180.0° |
| H44 | C44 | C45 | C46 | 81.3° | 60.0° |
| H44 | C44 | C45 | H45 | 158.7° | 180.0° |
| H44 | C44 | C45 | H45A | 38.7° | 59.9° |
| H44A | C44 | C45 | C46 | 38.7° | 60.0° |
| H44A | C44 | C45 | H45 | 81.3° | 60.0° |
| H44A | C44 | C45 | H45A | 158.7° | 179.9° |
| C46 | C45 | H45 | H45A | 119.0° | 120.0° |
| C45 | C46 | H46 | H46A | 120.0° | 120.0° |
| C45 | C46 | H46 | H46B | 120.0° | 120.0° |
| C45 | C46 | H46A | H46B | 120.0° | 120.0° |
| H45 | C45 | C46 | H46 | 60.0° | 180.0° |
| H45 | C45 | C46 | H46A | 180.0° | 60.0° |
| H45 | C45 | C46 | H46B | 60.0° | 60.0° |
| H45A | C45 | C46 | H46 | 60.0° | 59.9° |
| H45A | C45 | C46 | H46A | 60.0° | 180.0° |
| H45A | C45 | C46 | H46B | 180.0° | 60.0° |
| H46 | C46 | H46A | H46B | 120.0° | 120.0° |
