B7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O1 | C26 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C41 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C43 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | P | sing | 1.61Å | 1.61Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C18 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C28 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C42 | C40 | sing | 1.51Å | 1.53Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| O7 | C42 | doub | 1.21Å | 1.23Å | |
| O9 | C42 | sing | 1.34Å | 1.36Å | |
| C45 | O9 | sing | 1.45Å | 1.44Å | |
| C15 | C45 | sing | 1.53Å | 1.52Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | O8 | sing | 1.45Å | 1.44Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O10 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| P | O10 | sing | 1.61Å | 1.61Å | |
| O4 | P | doub | 1.48Å | 1.48Å | |
| P | O5 | sing | 1.61Å | 1.48Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C17 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| O13 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| O12 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C44 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O11 | C44 | sing | 1.43Å | 1.43Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O8 | C27 | sing | 1.34Å | 1.36Å | |
| O6 | C27 | doub | 1.21Å | 1.23Å | |
| C27 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C23 | C14 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.51Å | 1.39Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | doub | 1.31Å | 1.39Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.51Å | 1.39Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C1 | C2 | C3 | 110.7° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.4° |
| C1 | C2 | H2A | 108.8° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H2A | 108.8° | 109.5° |
| C2 | C3 | C4 | 111.0° | 109.4° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| H2 | C2 | H2A | 110.4° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C4 | C3 | H3A | 108.6° | 109.4° |
| C3 | C4 | C5 | 110.9° | 109.4° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C3 | C4 | H4A | 108.7° | 109.5° |
| H3 | C3 | H3A | 110.7° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | H4A | 108.7° | 109.4° |
| C4 | C5 | C6 | 111.0° | 109.4° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C4 | C5 | H5A | 108.6° | 109.5° |
| H4 | C4 | H4A | 110.6° | 109.5° |
| C26 | O1 | HO1 | 109.5° | 114.1° |
| O1 | C26 | C41 | 109.2° | 109.5° |
| O1 | C26 | C17 | 108.9° | 109.4° |
| O1 | C26 | H26 | 110.5° | 109.5° |
| C41 | O2 | HO2 | 109.5° | 113.9° |
| O2 | C41 | C43 | 109.4° | 109.4° |
| O2 | C41 | C26 | 109.8° | 109.5° |
| O2 | C41 | H41 | 109.6° | 109.4° |
| C43 | O3 | P | 120.6° | 123.0° |
| O3 | C43 | C44 | 110.2° | 109.5° |
| O3 | C43 | C41 | 109.7° | 109.5° |
| O3 | C43 | H43 | 108.9° | 109.5° |
| O3 | P | O10 | 103.8° | 109.5° |
| O3 | P | O4 | 109.7° | 109.5° |
| O3 | P | O5 | 108.6° | 109.5° |
| C22 | C21 | H21 | 109.5° | 109.5° |
| C22 | C21 | H21A | 109.5° | 109.5° |
| C22 | C21 | H21B | 109.4° | 109.4° |
| C21 | C22 | C18 | 110.9° | 109.5° |
| C21 | C22 | H22 | 109.0° | 109.4° |
| C21 | C22 | H22A | 108.7° | 109.5° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21 | C21 | H21B | 109.4° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.4° |
| C18 | C22 | H22 | 109.0° | 109.5° |
| C18 | C22 | H22A | 108.7° | 109.5° |
| C22 | C18 | C19 | 111.2° | 109.4° |
| C22 | C18 | H18 | 108.9° | 109.4° |
| C22 | C18 | H18A | 108.5° | 109.4° |
| H22 | C22 | H22A | 110.6° | 109.4° |
| C19 | C18 | H18 | 108.9° | 109.5° |
| C19 | C18 | H18A | 108.5° | 109.5° |
| C18 | C19 | C28 | 110.6° | 109.4° |
| C18 | C19 | H19 | 109.1° | 109.5° |
| C18 | C19 | H19A | 108.9° | 109.5° |
| H18 | C18 | H18A | 110.8° | 109.5° |
| C28 | C19 | H19 | 109.1° | 109.4° |
| C28 | C19 | H19A | 108.8° | 109.5° |
| C19 | C28 | C29 | 111.7° | 109.5° |
| C19 | C28 | H28 | 108.7° | 109.5° |
| C19 | C28 | H28A | 108.2° | 109.5° |
| H19 | C19 | H19A | 110.3° | 109.5° |
| C29 | C28 | H28 | 108.7° | 109.4° |
| C29 | C28 | H28A | 108.2° | 109.5° |
| C28 | C29 | C30 | 109.8° | 109.5° |
| C28 | C29 | H29 | 109.4° | 109.4° |
| C28 | C29 | H29A | 109.3° | 109.5° |
| H28 | C28 | H28A | 111.2° | 109.4° |
| C30 | C29 | H29 | 109.4° | 109.5° |
| C30 | C29 | H29A | 109.3° | 109.5° |
| C29 | C30 | C31 | 112.5° | 109.5° |
| C29 | C30 | H30 | 108.5° | 109.5° |
| C29 | C30 | H30A | 107.8° | 109.5° |
| H29 | C29 | H29A | 109.7° | 109.5° |
| C31 | C30 | H30 | 108.5° | 109.5° |
| C31 | C30 | H30A | 107.8° | 109.4° |
| C30 | C31 | C32 | 111.9° | 109.5° |
| C30 | C31 | H31 | 108.7° | 109.5° |
| C30 | C31 | H31A | 108.1° | 109.4° |
| H30 | C30 | H30A | 111.9° | 109.4° |
| C32 | C31 | H31 | 108.7° | 109.5° |
| C32 | C31 | H31A | 108.1° | 109.5° |
| C31 | C32 | C33 | 110.2° | 109.5° |
| C31 | C32 | H32 | 109.2° | 109.5° |
| C31 | C32 | H32A | 109.1° | 109.4° |
| H31 | C31 | H31A | 111.4° | 109.5° |
| C33 | C32 | H32 | 109.2° | 109.5° |
| C33 | C32 | H32A | 109.1° | 109.4° |
| C32 | C33 | C34 | 111.3° | 109.5° |
| C32 | C33 | H33 | 108.9° | 109.5° |
| C32 | C33 | H33A | 108.4° | 109.5° |
| H32 | C32 | H32A | 110.1° | 109.5° |
| C34 | C33 | H33 | 108.9° | 109.5° |
| C34 | C33 | H33A | 108.5° | 109.4° |
| C33 | C34 | C35 | 111.0° | 109.5° |
| C33 | C34 | H34 | 109.0° | 109.5° |
| C33 | C34 | H34A | 108.6° | 109.5° |
| H33 | C33 | H33A | 110.9° | 109.4° |
| C35 | C34 | H34 | 109.0° | 109.5° |
| C35 | C34 | H34A | 108.7° | 109.4° |
| C34 | C35 | C36 | 110.9° | 109.5° |
| C34 | C35 | H35 | 109.0° | 109.5° |
| C34 | C35 | H35A | 108.7° | 109.4° |
| H34 | C34 | H34A | 110.6° | 109.4° |
| C36 | C35 | H35 | 109.0° | 109.5° |
| C36 | C35 | H35A | 108.7° | 109.5° |
| C35 | C36 | C37 | 111.3° | 109.5° |
| C35 | C36 | H36 | 108.9° | 109.5° |
| C35 | C36 | H36A | 108.5° | 109.5° |
| H35 | C35 | H35A | 110.6° | 109.4° |
| C37 | C36 | H36 | 108.9° | 109.5° |
| C37 | C36 | H36A | 108.5° | 109.4° |
| C36 | C37 | C38 | 111.0° | 109.5° |
| C36 | C37 | H37 | 108.9° | 109.5° |
| C36 | C37 | H37A | 108.6° | 109.4° |
| H36 | C36 | H36A | 110.9° | 109.5° |
| C38 | C37 | H37 | 109.0° | 109.5° |
| C38 | C37 | H37A | 108.6° | 109.5° |
| C37 | C38 | C39 | 111.4° | 109.4° |
| C37 | C38 | H38 | 108.9° | 109.5° |
| C37 | C38 | H38A | 108.4° | 109.5° |
| H37 | C37 | H37A | 110.7° | 109.5° |
| C39 | C38 | H38 | 108.8° | 109.5° |
| C39 | C38 | H38A | 108.4° | 109.4° |
| C38 | C39 | C40 | 111.4° | 109.5° |
| C38 | C39 | H39 | 108.8° | 109.5° |
| C38 | C39 | H39A | 108.4° | 109.5° |
| H38 | C38 | H38A | 111.0° | 109.5° |
| C40 | C39 | H39 | 108.8° | 109.4° |
| C40 | C39 | H39A | 108.4° | 109.4° |
| C39 | C40 | C42 | 112.5° | 109.5° |
| C39 | C40 | H40 | 108.5° | 109.4° |
| C39 | C40 | H40A | 107.8° | 109.5° |
| H39 | C39 | H39A | 111.0° | 109.5° |
| C42 | C40 | H40 | 108.5° | 109.5° |
| C42 | C40 | H40A | 107.7° | 109.5° |
| C40 | C42 | O7 | 120.7° | 120.0° |
| C40 | C42 | O9 | 119.2° | 120.0° |
| H40 | C40 | H40A | 111.9° | 109.5° |
| O7 | C42 | O9 | 120.2° | 120.0° |
| C42 | O9 | C45 | 111.2° | 117.0° |
| O9 | C45 | C15 | 109.6° | 109.5° |
| O9 | C45 | H45 | 109.4° | 109.5° |
| O9 | C45 | H45A | 109.4° | 109.5° |
| C15 | C45 | H45 | 109.4° | 109.5° |
| C15 | C45 | H45A | 109.4° | 109.5° |
| C45 | C15 | C16 | 109.7° | 109.5° |
| C45 | C15 | O8 | 110.6° | 109.4° |
| C45 | C15 | H15 | 108.2° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.4° |
| C16 | C15 | O8 | 108.3° | 109.5° |
| C16 | C15 | H15 | 110.5° | 109.5° |
| C15 | C16 | O10 | 110.0° | 109.5° |
| C15 | C16 | H16 | 109.3° | 109.4° |
| C15 | C16 | H16A | 109.2° | 109.5° |
| O8 | C15 | H15 | 109.6° | 109.5° |
| C15 | O8 | C27 | 111.0° | 117.0° |
| O10 | C16 | H16 | 109.3° | 109.4° |
| O10 | C16 | H16A | 109.2° | 109.5° |
| C16 | O10 | P | 120.8° | 123.0° |
| H16 | C16 | H16A | 109.9° | 109.5° |
| O10 | P | O4 | 108.0° | 109.5° |
| O10 | P | O5 | 107.3° | 109.4° |
| O4 | P | O5 | 118.5° | 109.4° |
| P | O5 | HO5 | 109.5° | 114.0° |
| C44 | C43 | C41 | 109.8° | 109.4° |
| C44 | C43 | H43 | 108.8° | 109.4° |
| C43 | C44 | C20 | 109.9° | 109.5° |
| C43 | C44 | O11 | 109.0° | 109.5° |
| C43 | C44 | H44 | 109.3° | 109.5° |
| C41 | C43 | H43 | 109.4° | 109.5° |
| C43 | C41 | C26 | 110.1° | 109.5° |
| C43 | C41 | H41 | 109.2° | 109.5° |
| C26 | C41 | H41 | 108.8° | 109.5° |
| C41 | C26 | C17 | 111.0° | 109.5° |
| C41 | C26 | H26 | 108.4° | 109.5° |
| C17 | C26 | H26 | 108.8° | 109.4° |
| C26 | C17 | O13 | 108.9° | 109.5° |
| C26 | C17 | C20 | 110.9° | 109.4° |
| C26 | C17 | H17 | 108.9° | 109.4° |
| O13 | C17 | C20 | 109.2° | 109.5° |
| O13 | C17 | H17 | 110.5° | 109.5° |
| C17 | O13 | HO13 | 109.5° | 114.0° |
| C20 | C17 | H17 | 108.5° | 109.5° |
| C17 | C20 | O12 | 109.3° | 109.4° |
| C17 | C20 | C44 | 110.4° | 109.5° |
| C17 | C20 | H20 | 108.8° | 109.5° |
| O12 | C20 | C44 | 109.1° | 109.5° |
| O12 | C20 | H20 | 110.1° | 109.5° |
| C20 | O12 | HO12 | 109.5° | 114.0° |
| C44 | C20 | H20 | 109.1° | 109.5° |
| C20 | C44 | O11 | 109.0° | 109.5° |
| C20 | C44 | H44 | 109.3° | 109.5° |
| O11 | C44 | H44 | 110.2° | 109.5° |
| C44 | O11 | HO11 | 109.5° | 114.0° |
| O8 | C27 | O6 | 120.0° | 120.0° |
| O8 | C27 | C25 | 119.7° | 120.0° |
| O6 | C27 | C25 | 120.3° | 120.0° |
| C27 | C25 | C24 | 112.6° | 109.5° |
| C27 | C25 | H25 | 108.4° | 109.5° |
| C27 | C25 | H25A | 107.7° | 109.5° |
| C24 | C25 | H25 | 108.4° | 109.5° |
| C24 | C25 | H25A | 107.7° | 109.4° |
| C25 | C24 | C23 | 111.6° | 109.5° |
| C25 | C24 | H24 | 108.8° | 109.5° |
| C25 | C24 | H24A | 108.3° | 109.4° |
| H25 | C25 | H25A | 112.0° | 109.5° |
| C23 | C24 | H24 | 108.8° | 109.5° |
| C23 | C24 | H24A | 108.3° | 109.5° |
| C24 | C23 | C14 | 111.2° | 109.5° |
| C24 | C23 | H23 | 108.9° | 109.5° |
| C24 | C23 | H23A | 108.5° | 109.4° |
| H24 | C24 | H24A | 111.1° | 109.4° |
| C14 | C23 | H23 | 108.9° | 109.5° |
| C14 | C23 | H23A | 108.5° | 109.5° |
| C23 | C14 | C13 | 110.9° | 109.5° |
| C23 | C14 | H14 | 109.0° | 109.5° |
| C23 | C14 | H14A | 108.7° | 109.5° |
| H23 | C23 | H23A | 110.8° | 109.5° |
| C13 | C14 | H14 | 109.0° | 109.4° |
| C13 | C14 | H14A | 108.7° | 109.5° |
| C14 | C13 | C12 | 111.4° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.4° |
| C14 | C13 | H13A | 108.4° | 109.4° |
| H14 | C14 | H14A | 110.6° | 109.5° |
| C12 | C13 | H13 | 108.8° | 109.5° |
| C12 | C13 | H13A | 108.4° | 109.5° |
| C13 | C12 | C11 | 110.8° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| H13 | C13 | H13A | 111.0° | 109.5° |
| C11 | C12 | H12 | 109.0° | 109.5° |
| C11 | C12 | H12A | 108.7° | 109.4° |
| C12 | C11 | C10 | 110.7° | 109.5° |
| C12 | C11 | H11 | 109.1° | 109.5° |
| C12 | C11 | H11A | 108.7° | 109.5° |
| H12 | C12 | H12A | 110.5° | 109.5° |
| C10 | C11 | H11 | 109.0° | 109.5° |
| C10 | C11 | H11A | 108.8° | 109.4° |
| C11 | C10 | C9 | 121.4° | 120.0° |
| C11 | C10 | H10 | 119.3° | 120.0° |
| H11 | C11 | H11A | 110.5° | 109.4° |
| C9 | C10 | H10 | 119.3° | 120.0° |
| C10 | C9 | C8 | 121.3° | 120.0° |
| C10 | C9 | H9 | 119.3° | 120.0° |
| C8 | C9 | H9 | 119.3° | 120.0° |
| C9 | C8 | C7 | 110.2° | 109.5° |
| C9 | C8 | H8 | 109.2° | 109.4° |
| C9 | C8 | H8A | 109.0° | 109.5° |
| C7 | C8 | H8 | 109.2° | 109.5° |
| C7 | C8 | H8A | 109.0° | 109.6° |
| C8 | C7 | C6 | 110.7° | 109.4° |
| C8 | C7 | H7 | 109.0° | 109.4° |
| C8 | C7 | H7A | 108.8° | 109.5° |
| H8 | C8 | H8A | 110.1° | 109.5° |
| C6 | C7 | H7 | 109.1° | 109.5° |
| C6 | C7 | H7A | 108.8° | 109.5° |
| C7 | C6 | C5 | 111.0° | 109.4° |
| C7 | C6 | H6 | 108.9° | 109.4° |
| C7 | C6 | H6A | 108.6° | 109.5° |
| H7 | C7 | H7A | 110.5° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| C5 | C6 | H6A | 108.6° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C6 | C5 | H5A | 108.6° | 109.4° |
| H6 | C6 | H6A | 110.7° | 109.5° |
| H5 | C5 | H5A | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 119.5° | 119.9° |
| C1 | C2 | H2 | H2A | 119.5° | 119.9° |
| C1 | C2 | C3 | C4 | 178.3° | 180.0° |
| C1 | C2 | C3 | H3 | 58.3° | 60.0° |
| C1 | C2 | C3 | H3A | 62.3° | 60.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 9.7° | 60.0° |
| H1 | C1 | C2 | H2 | 129.7° | 180.0° |
| H1 | C1 | C2 | H2A | 109.8° | 60.0° |
| H1A | C1 | C2 | C3 | 129.7° | 180.0° |
| H1A | C1 | C2 | H2 | 110.3° | 60.0° |
| H1A | C1 | C2 | H2A | 10.2° | 60.0° |
| H1B | C1 | C2 | C3 | 110.3° | 60.0° |
| H1B | C1 | C2 | H2 | 9.7° | 60.0° |
| H1B | C1 | C2 | H2A | 130.2° | 180.0° |
| C3 | C2 | H2 | H2A | 119.5° | 120.1° |
| C2 | C3 | C4 | H3 | 120.0° | 120.1° |
| C2 | C3 | C4 | H3A | 119.4° | 119.9° |
| C2 | C3 | H3 | H3A | 119.4° | 120.0° |
| C2 | C3 | C4 | C5 | 178.6° | 180.0° |
| C2 | C3 | C4 | H4 | 61.4° | 60.0° |
| C2 | C3 | C4 | H4A | 59.2° | 60.1° |
| H2 | C2 | C3 | C4 | 61.7° | 60.0° |
| H2 | C2 | C3 | H3 | 178.3° | 179.9° |
| H2 | C2 | C3 | H3A | 57.7° | 59.9° |
| H2A | C2 | C3 | C4 | 58.8° | 60.1° |
| H2A | C2 | C3 | H3 | 61.2° | 60.0° |
| H2A | C2 | C3 | H3A | 178.2° | 180.0° |
| C4 | C3 | H3 | H3A | 119.4° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 119.4° | 119.9° |
| C3 | C4 | H4 | H4A | 119.4° | 120.0° |
| C3 | C4 | C5 | C6 | 62.8° | 180.0° |
| C3 | C4 | C5 | H5 | 177.2° | 60.0° |
| C3 | C4 | C5 | H5A | 56.6° | 60.1° |
| H3 | C3 | C4 | C5 | 58.6° | 60.0° |
| H3 | C3 | C4 | H4 | 178.6° | 180.0° |
| H3 | C3 | C4 | H4A | 60.8° | 60.0° |
| H3A | C3 | C4 | C5 | 62.1° | 60.0° |
| H3A | C3 | C4 | H4 | 57.9° | 60.0° |
| H3A | C3 | C4 | H4A | 178.5° | 180.0° |
| C5 | C4 | H4 | H4A | 119.4° | 120.0° |
| C4 | C5 | C6 | C7 | 178.9° | 180.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 119.3° | 120.0° |
| C4 | C5 | C6 | H6 | 59.0° | 60.1° |
| C4 | C5 | C6 | H6A | 61.7° | 60.0° |
| C4 | C5 | H5 | H5A | 119.4° | 120.0° |
| H4 | C4 | C5 | C6 | 57.2° | 60.0° |
| H4 | C4 | C5 | H5 | 62.7° | 180.0° |
| H4 | C4 | C5 | H5A | 176.6° | 59.9° |
| H4A | C4 | C5 | C6 | 177.8° | 60.0° |
| H4A | C4 | C5 | H5 | 57.8° | 60.0° |
| H4A | C4 | C5 | H5A | 62.8° | 180.0° |
| O1 | C26 | C41 | O2 | 62.5° | 60.0° |
| O1 | C26 | C41 | C43 | 177.0° | 180.0° |
| O1 | C26 | C41 | C17 | 120.1° | 120.0° |
| O1 | C26 | C41 | H26 | 120.5° | 120.0° |
| O1 | C26 | C41 | H41 | 57.4° | 60.0° |
| O1 | C26 | C17 | H26 | 120.5° | 120.0° |
| O1 | C26 | C17 | O13 | 63.9° | 60.0° |
| O1 | C26 | C17 | C20 | 176.0° | 180.0° |
| O1 | C26 | C17 | H17 | 56.7° | 60.0° |
| HO1 | O1 | C26 | C41 | 119.2° | 180.0° |
| HO1 | O1 | C26 | C17 | 2.1° | 60.0° |
| HO1 | O1 | C26 | H26 | 121.6° | 60.0° |
| O2 | C41 | C43 | O3 | 59.0° | 60.0° |
| O2 | C41 | C43 | C44 | 179.7° | 180.0° |
| O2 | C41 | C43 | C26 | 120.7° | 120.0° |
| O2 | C41 | C43 | H41 | 119.9° | 119.9° |
| O2 | C41 | C43 | H43 | 60.4° | 60.1° |
| O2 | C41 | C26 | H41 | 119.9° | 120.0° |
| O2 | C41 | C26 | C17 | 177.5° | 180.0° |
| O2 | C41 | C26 | H26 | 58.0° | 60.0° |
| HO2 | O2 | C41 | C43 | 168.4° | 180.0° |
| HO2 | O2 | C41 | C26 | 47.4° | 60.0° |
| HO2 | O2 | C41 | H41 | 72.0° | 60.0° |
| C43 | O3 | P | O10 | 77.3° | 175.0° |
| C43 | O3 | P | O4 | 37.8° | 55.0° |
| C43 | O3 | P | O5 | 168.8° | 65.0° |
| O3 | C43 | C44 | C41 | 120.9° | 120.0° |
| O3 | C43 | C44 | H43 | 119.4° | 120.0° |
| O3 | C43 | C41 | H43 | 119.4° | 120.1° |
| O3 | C43 | C41 | C26 | 179.7° | 180.0° |
| O3 | C43 | C41 | H41 | 60.9° | 59.9° |
| O3 | C43 | C44 | C20 | 179.1° | 180.0° |
| O3 | C43 | C44 | O11 | 61.4° | 60.0° |
| O3 | C43 | C44 | H44 | 59.1° | 60.0° |
| O3 | P | O10 | C16 | 55.7° | 175.0° |
| O3 | P | O10 | O4 | 116.4° | 120.0° |
| O3 | P | O10 | O5 | 114.9° | 120.0° |
| O3 | P | O4 | O5 | 125.5° | 120.0° |
| O3 | P | O5 | HO5 | 160.7° | 60.0° |
| P | O3 | C43 | C44 | 95.1° | 120.0° |
| P | O3 | C43 | C41 | 143.9° | 120.0° |
| P | O3 | C43 | H43 | 24.2° | 0.0° |
| C22 | C21 | H21 | H21A | 120.0° | 120.1° |
| C22 | C21 | H21 | H21B | 120.0° | 120.0° |
| C22 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | C22 | C18 | H22 | 120.0° | 120.0° |
| C21 | C22 | C18 | H22A | 119.4° | 120.1° |
| C21 | C22 | H22 | H22A | 119.4° | 120.0° |
| C21 | C22 | C18 | C19 | 179.3° | 180.0° |
| C21 | C22 | C18 | H18 | 59.3° | 60.0° |
| C21 | C22 | C18 | H18A | 61.4° | 60.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H21 | C21 | C22 | C18 | 61.3° | 180.0° |
| H21 | C21 | C22 | H22 | 58.7° | 60.0° |
| H21 | C21 | C22 | H22A | 179.3° | 59.9° |
| H21A | C21 | C22 | C18 | 58.7° | 59.9° |
| H21A | C21 | C22 | H22 | 178.7° | 60.0° |
| H21A | C21 | C22 | H22A | 60.7° | 180.0° |
| H21B | C21 | C22 | C18 | 178.7° | 60.0° |
| H21B | C21 | C22 | H22 | 61.3° | 180.0° |
| H21B | C21 | C22 | H22A | 59.4° | 60.0° |
| C18 | C22 | H22 | H22A | 119.4° | 120.0° |
| C22 | C18 | C19 | H18 | 120.0° | 119.9° |
| C22 | C18 | C19 | H18A | 119.3° | 120.0° |
| C22 | C18 | H18 | H18A | 119.3° | 119.9° |
| C22 | C18 | C19 | C28 | 179.5° | 180.0° |
| C22 | C18 | C19 | H19 | 60.5° | 60.1° |
| C22 | C18 | C19 | H19A | 60.0° | 60.0° |
| H22 | C22 | C18 | C19 | 60.7° | 60.0° |
| H22 | C22 | C18 | H18 | 179.3° | 180.0° |
| H22 | C22 | C18 | H18A | 58.6° | 60.0° |
| H22A | C22 | C18 | C19 | 59.9° | 60.0° |
| H22A | C22 | C18 | H18 | 60.1° | 60.1° |
| H22A | C22 | C18 | H18A | 179.2° | 180.0° |
| C19 | C18 | H18 | H18A | 119.3° | 120.1° |
| C18 | C19 | C28 | H19 | 120.0° | 120.0° |
| C18 | C19 | C28 | H19A | 119.5° | 120.0° |
| C18 | C19 | H19 | H19A | 119.6° | 120.0° |
| C18 | C19 | C28 | C29 | 179.9° | 180.0° |
| C18 | C19 | C28 | H28 | 59.9° | 60.0° |
| C18 | C19 | C28 | H28A | 61.0° | 60.0° |
| H18 | C18 | C19 | C28 | 59.5° | 60.1° |
| H18 | C18 | C19 | H19 | 179.5° | 180.0° |
| H18 | C18 | C19 | H19A | 60.0° | 59.9° |
| H18A | C18 | C19 | C28 | 61.2° | 60.0° |
| H18A | C18 | C19 | H19 | 58.8° | 59.9° |
| H18A | C18 | C19 | H19A | 179.3° | 180.0° |
| C28 | C19 | H19 | H19A | 119.5° | 120.0° |
| C19 | C28 | C29 | H28 | 120.0° | 120.0° |
| C19 | C28 | C29 | H28A | 119.1° | 120.1° |
| C19 | C28 | H28 | H28A | 119.1° | 120.0° |
| C19 | C28 | C29 | C30 | 176.9° | 180.0° |
| C19 | C28 | C29 | H29 | 63.1° | 60.0° |
| C19 | C28 | C29 | H29A | 57.0° | 59.9° |
| H19 | C19 | C28 | C29 | 60.1° | 60.1° |
| H19 | C19 | C28 | H28 | 179.9° | 180.0° |
| H19 | C19 | C28 | H28A | 59.0° | 60.0° |
| H19A | C19 | C28 | C29 | 60.4° | 60.0° |
| H19A | C19 | C28 | H28 | 59.6° | 59.9° |
| H19A | C19 | C28 | H28A | 179.4° | 179.9° |
| C29 | C28 | H28 | H28A | 119.1° | 120.0° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29A | 119.9° | 120.0° |
| C28 | C29 | H29 | H29A | 119.9° | 120.0° |
| C28 | C29 | C30 | C31 | 179.2° | 180.0° |
| C28 | C29 | C30 | H30 | 59.2° | 60.0° |
| C28 | C29 | C30 | H30A | 62.1° | 60.0° |
| H28 | C28 | C29 | C30 | 56.9° | 60.0° |
| H28 | C28 | C29 | H29 | 176.9° | 180.0° |
| H28 | C28 | C29 | H29A | 63.0° | 60.0° |
| H28A | C28 | C29 | C30 | 64.0° | 60.0° |
| H28A | C28 | C29 | H29 | 56.0° | 60.0° |
| H28A | C28 | C29 | H29A | 176.1° | 180.0° |
| C30 | C29 | H29 | H29A | 119.9° | 120.0° |
| C29 | C30 | C31 | H30 | 120.0° | 120.1° |
| C29 | C30 | C31 | H30A | 118.7° | 120.0° |
| C29 | C30 | H30 | H30A | 118.8° | 120.0° |
| C29 | C30 | C31 | C32 | 63.4° | 180.0° |
| C29 | C30 | C31 | H31 | 56.6° | 59.9° |
| C29 | C30 | C31 | H31A | 177.7° | 60.0° |
| H29 | C29 | C30 | C31 | 60.8° | 60.0° |
| H29 | C29 | C30 | H30 | 179.2° | 180.0° |
| H29 | C29 | C30 | H30A | 57.9° | 60.0° |
| H29A | C29 | C30 | C31 | 59.3° | 60.0° |
| H29A | C29 | C30 | H30 | 60.7° | 60.0° |
| H29A | C29 | C30 | H30A | 178.0° | NaN° |
| C31 | C30 | H30 | H30A | 118.8° | 119.9° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 118.9° | 119.9° |
| C30 | C31 | H31 | H31A | 119.0° | 119.9° |
| C30 | C31 | C32 | C33 | 167.5° | 180.0° |
| C30 | C31 | C32 | H32 | 47.5° | 59.9° |
| C30 | C31 | C32 | H32A | 72.8° | 60.1° |
| H30 | C30 | C31 | C32 | 176.6° | 59.9° |
| H30 | C30 | C31 | H31 | 63.4° | 180.0° |
| H30 | C30 | C31 | H31A | 57.7° | 60.0° |
| H30A | C30 | C31 | C32 | 55.3° | 60.0° |
| H30A | C30 | C31 | H31 | 175.3° | 60.1° |
| H30A | C30 | C31 | H31A | 63.6° | 180.0° |
| C32 | C31 | H31 | H31A | 119.0° | 120.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 119.7° | 119.9° |
| C31 | C32 | H32 | H32A | 119.7° | 120.0° |
| C31 | C32 | C33 | C34 | 179.0° | 180.0° |
| C31 | C32 | C33 | H33 | 61.0° | 60.0° |
| C31 | C32 | C33 | H33A | 59.7° | 60.1° |
| H31 | C31 | C32 | C33 | 72.5° | 60.0° |
| H31 | C31 | C32 | H32 | 167.5° | 180.0° |
| H31 | C31 | C32 | H32A | 47.2° | 60.0° |
| H31A | C31 | C32 | C33 | 48.6° | 60.1° |
| H31A | C31 | C32 | H32 | 71.4° | 60.0° |
| H31A | C31 | C32 | H32A | 168.3° | 180.0° |
| C33 | C32 | H32 | H32A | 119.7° | 120.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.1° |
| C32 | C33 | C34 | H33A | 119.2° | 120.0° |
| C32 | C33 | H33 | H33A | 119.2° | 120.0° |
| C32 | C33 | C34 | C35 | 171.6° | 180.0° |
| C32 | C33 | C34 | H34 | 51.6° | 59.9° |
| C32 | C33 | C34 | H34A | 69.0° | 60.0° |
| H32 | C32 | C33 | C34 | 59.0° | 60.0° |
| H32 | C32 | C33 | H33 | 179.0° | 180.0° |
| H32 | C32 | C33 | H33A | 60.3° | 60.0° |
| H32A | C32 | C33 | C34 | 61.4° | 60.1° |
| H32A | C32 | C33 | H33 | 58.7° | 60.0° |
| H32A | C32 | C33 | H33A | 179.4° | 180.0° |
| C34 | C33 | H33 | H33A | 119.3° | 119.9° |
| C33 | C34 | C35 | H34 | 120.0° | 120.1° |
| C33 | C34 | C35 | H34A | 119.4° | 120.0° |
| C33 | C34 | H34 | H34A | 119.4° | 120.0° |
| C33 | C34 | C35 | C36 | 176.4° | 180.0° |
| C33 | C34 | C35 | H35 | 56.4° | 59.9° |
| C33 | C34 | C35 | H35A | 64.2° | 60.0° |
| H33 | C33 | C34 | C35 | 68.3° | 59.9° |
| H33 | C33 | C34 | H34 | 171.6° | 180.0° |
| H33 | C33 | C34 | H34A | 51.0° | 60.1° |
| H33A | C33 | C34 | C35 | 52.4° | 60.0° |
| H33A | C33 | C34 | H34 | 67.6° | 60.0° |
| H33A | C33 | C34 | H34A | 171.8° | 180.0° |
| C35 | C34 | H34 | H34A | 119.4° | 119.9° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 119.4° | 120.0° |
| C34 | C35 | H35 | H35A | 119.4° | 119.9° |
| C34 | C35 | C36 | C37 | 177.5° | 180.0° |
| C34 | C35 | C36 | H36 | 57.5° | 60.0° |
| C34 | C35 | C36 | H36A | 63.2° | 60.1° |
| H34 | C34 | C35 | C36 | 63.6° | 59.9° |
| H34 | C34 | C35 | H35 | 176.4° | 180.0° |
| H34 | C34 | C35 | H35A | 55.8° | 60.1° |
| H34A | C34 | C35 | C36 | 57.0° | 60.0° |
| H34A | C34 | C35 | H35 | 63.0° | 60.1° |
| H34A | C34 | C35 | H35A | 176.4° | 180.0° |
| C36 | C35 | H35 | H35A | 119.4° | 120.0° |
| C35 | C36 | C37 | H36 | 120.0° | 120.1° |
| C35 | C36 | C37 | H36A | 119.2° | 120.0° |
| C35 | C36 | H36 | H36A | 119.3° | 120.0° |
| C35 | C36 | C37 | C38 | 171.8° | 180.0° |
| C35 | C36 | C37 | H37 | 51.8° | 59.9° |
| C35 | C36 | C37 | H37A | 68.9° | 60.0° |
| H35 | C35 | C36 | C37 | 62.5° | 60.0° |
| H35 | C35 | C36 | H36 | 177.5° | 180.0° |
| H35 | C35 | C36 | H36A | 56.7° | 60.0° |
| H35A | C35 | C36 | C37 | 58.1° | 60.0° |
| H35A | C35 | C36 | H36 | 61.9° | 60.0° |
| H35A | C35 | C36 | H36A | 177.4° | 180.0° |
| C37 | C36 | H36 | H36A | 119.2° | 120.0° |
| C36 | C37 | C38 | H37 | 120.0° | 120.0° |
| C36 | C37 | C38 | H37A | 119.3° | 119.9° |
| C36 | C37 | H37 | H37A | 119.4° | 120.0° |
| C36 | C37 | C38 | C39 | 58.7° | 180.0° |
| C36 | C37 | C38 | H38 | 61.3° | 59.9° |
| C36 | C37 | C38 | H38A | 177.9° | 60.1° |
| H36 | C36 | C37 | C38 | 68.2° | 59.9° |
| H36 | C36 | C37 | H37 | 171.8° | 180.0° |
| H36 | C36 | C37 | H37A | 51.1° | 60.0° |
| H36A | C36 | C37 | C38 | 52.5° | 60.0° |
| H36A | C36 | C37 | H37 | 67.4° | 60.0° |
| H36A | C36 | C37 | H37A | 171.9° | 180.0° |
| C38 | C37 | H37 | H37A | 119.4° | 120.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.0° |
| C37 | C38 | C39 | H38A | 119.2° | 120.0° |
| C37 | C38 | H38 | H38A | 119.2° | 120.0° |
| C37 | C38 | C39 | C40 | 174.6° | 180.0° |
| C37 | C38 | C39 | H39 | 65.4° | 60.0° |
| C37 | C38 | C39 | H39A | 55.4° | 60.0° |
| H37 | C37 | C38 | C39 | 178.6° | 60.0° |
| H37 | C37 | C38 | H38 | 58.6° | 180.0° |
| H37 | C37 | C38 | H38A | 62.2° | 60.0° |
| H37A | C37 | C38 | C39 | 60.7° | 60.0° |
| H37A | C37 | C38 | H38 | 179.3° | 60.0° |
| H37A | C37 | C38 | H38A | 58.5° | 180.0° |
| C39 | C38 | H38 | H38A | 119.2° | 120.0° |
| C38 | C39 | C40 | H39 | 120.0° | 120.0° |
| C38 | C39 | C40 | H39A | 119.2° | 120.1° |
| C38 | C39 | H39 | H39A | 119.2° | 120.1° |
| C38 | C39 | C40 | C42 | 66.0° | 180.0° |
| C38 | C39 | C40 | H40 | 174.0° | 60.0° |
| C38 | C39 | C40 | H40A | 52.7° | 60.0° |
| H38 | C38 | C39 | C40 | 54.6° | 60.0° |
| H38 | C38 | C39 | H39 | 174.6° | 180.0° |
| H38 | C38 | C39 | H39A | 64.7° | 60.0° |
| H38A | C38 | C39 | C40 | 66.2° | 60.0° |
| H38A | C38 | C39 | H39 | 53.8° | 59.9° |
| H38A | C38 | C39 | H39A | 174.6° | 180.0° |
| C40 | C39 | H39 | H39A | 119.2° | 119.9° |
| C39 | C40 | C42 | H40 | 120.0° | 120.0° |
| C39 | C40 | C42 | H40A | 118.7° | 120.0° |
| C39 | C40 | H40 | H40A | 118.8° | 120.0° |
| C39 | C40 | C42 | O7 | 35.3° | 0.0° |
| C39 | C40 | C42 | O9 | 145.8° | 180.0° |
| H39 | C39 | C40 | C42 | 54.0° | 60.0° |
| H39 | C39 | C40 | H40 | 66.0° | 180.0° |
| H39 | C39 | C40 | H40A | 172.7° | 60.0° |
| H39A | C39 | C40 | C42 | 174.8° | 59.9° |
| H39A | C39 | C40 | H40 | 54.8° | 60.1° |
| H39A | C39 | C40 | H40A | 66.5° | 180.0° |
| C42 | C40 | H40 | H40A | 118.7° | 120.0° |
| C40 | C42 | O7 | O9 | 178.9° | 180.0° |
| C40 | C42 | O9 | C45 | 178.5° | 180.0° |
| H40 | C40 | C42 | O7 | 84.7° | 120.0° |
| H40 | C40 | C42 | O9 | 94.2° | 60.0° |
| H40A | C40 | C42 | O7 | 154.0° | 120.0° |
| H40A | C40 | C42 | O9 | 27.1° | 60.0° |
| O7 | C42 | O9 | C45 | 0.4° | 0.0° |
| C42 | O9 | C45 | C15 | 175.5° | 180.0° |
| C42 | O9 | C45 | H45 | 64.5° | 60.0° |
| C42 | O9 | C45 | H45A | 55.5° | 60.0° |
| O9 | C45 | C15 | H45 | 120.0° | 120.0° |
| O9 | C45 | C15 | H45A | 120.0° | 120.0° |
| O9 | C45 | H45 | H45A | 120.0° | 120.0° |
| O9 | C45 | C15 | C16 | 178.8° | 55.0° |
| O9 | C45 | C15 | O8 | 59.4° | 65.0° |
| O9 | C45 | C15 | H15 | 60.6° | 175.0° |
| C15 | C45 | H45 | H45A | 120.0° | 120.0° |
| C45 | C15 | C16 | O8 | 120.8° | 120.0° |
| C45 | C15 | C16 | H15 | 119.2° | 120.0° |
| C45 | C15 | O8 | H15 | 119.2° | 120.0° |
| C45 | C15 | C16 | O10 | 54.4° | 55.0° |
| C45 | C15 | C16 | H16 | 65.6° | 65.0° |
| C45 | C15 | C16 | H16A | 174.2° | 175.0° |
| C45 | C15 | O8 | C27 | 102.0° | 150.0° |
| H45 | C45 | C15 | C16 | 58.8° | 65.0° |
| H45 | C45 | C15 | O8 | 60.6° | 175.0° |
| H45 | C45 | C15 | H15 | 179.4° | 55.0° |
| H45A | C45 | C15 | C16 | 61.2° | 175.0° |
| H45A | C45 | C15 | O8 | 179.4° | 55.0° |
| H45A | C45 | C15 | H15 | 59.4° | 65.0° |
| C16 | C15 | O8 | H15 | 120.6° | 120.0° |
| C15 | C16 | O10 | H16 | 120.0° | 120.0° |
| C15 | C16 | O10 | H16A | 119.8° | 120.1° |
| C15 | C16 | H16 | H16A | 119.8° | 120.0° |
| C15 | C16 | O10 | P | 148.6° | 180.0° |
| C16 | C15 | O8 | C27 | 137.8° | 90.0° |
| O8 | C15 | C16 | O10 | 66.4° | 65.0° |
| O8 | C15 | C16 | H16 | 173.6° | 175.0° |
| O8 | C15 | C16 | H16A | 53.4° | 55.0° |
| C15 | O8 | C27 | O6 | 0.2° | 0.0° |
| C15 | O8 | C27 | C25 | 178.6° | 180.0° |
| H15 | C15 | C16 | O10 | 173.6° | 175.0° |
| H15 | C15 | C16 | H16 | 53.6° | 55.0° |
| H15 | C15 | C16 | H16A | 66.7° | 65.0° |
| H15 | C15 | O8 | C27 | 17.2° | 30.0° |
| O10 | C16 | H16 | H16A | 119.8° | 120.0° |
| C16 | O10 | P | O4 | 172.1° | 54.9° |
| C16 | O10 | P | O5 | 59.2° | 65.0° |
| H16 | C16 | O10 | P | 91.4° | 60.1° |
| H16A | C16 | O10 | P | 28.8° | 59.9° |
| O10 | P | O4 | O5 | 122.1° | 119.9° |
| O10 | P | O5 | HO5 | 49.1° | 60.1° |
| O4 | P | O5 | HO5 | 73.3° | 180.0° |
| C44 | C43 | C41 | H43 | 119.3° | 120.0° |
| C44 | C43 | C41 | C26 | 59.0° | 60.0° |
| C44 | C43 | C41 | H41 | 60.4° | 60.0° |
| C43 | C44 | C20 | C17 | 58.6° | 60.0° |
| C43 | C44 | C20 | O12 | 178.7° | 180.0° |
| C43 | C44 | C20 | O11 | 119.4° | 120.0° |
| C43 | C44 | C20 | H44 | 120.0° | 120.0° |
| C43 | C44 | C20 | H20 | 61.0° | 60.0° |
| C43 | C44 | O11 | H44 | 120.0° | 120.0° |
| C43 | C44 | O11 | HO11 | 51.5° | 180.0° |
| C43 | C41 | C26 | H41 | 119.6° | 120.0° |
| C43 | C41 | C26 | C17 | 57.0° | 60.0° |
| C43 | C41 | C26 | H26 | 62.5° | 60.0° |
| C41 | C43 | C44 | C20 | 59.9° | 60.0° |
| C41 | C43 | C44 | O11 | 59.5° | 60.0° |
| C41 | C43 | C44 | H44 | 180.0° | 180.0° |
| H43 | C43 | C41 | C26 | 60.3° | 59.9° |
| H43 | C43 | C41 | H41 | 179.7° | 180.0° |
| H43 | C43 | C44 | C20 | 59.7° | 60.0° |
| H43 | C43 | C44 | O11 | 179.2° | 180.0° |
| H43 | C43 | C44 | H44 | 60.3° | 60.0° |
| C41 | C26 | C17 | H26 | 119.2° | 120.0° |
| C41 | C26 | C17 | O13 | 175.8° | 180.0° |
| C41 | C26 | C17 | C20 | 55.7° | 60.0° |
| C41 | C26 | C17 | H17 | 63.6° | 60.0° |
| H41 | C41 | C26 | C17 | 62.7° | 60.0° |
| H41 | C41 | C26 | H26 | 177.9° | 180.0° |
| C26 | C17 | O13 | C20 | 121.2° | 120.0° |
| C26 | C17 | O13 | H17 | 119.5° | 120.0° |
| C26 | C17 | C20 | H17 | 119.5° | 120.0° |
| C26 | C17 | O13 | HO13 | 115.9° | 180.0° |
| C26 | C17 | C20 | O12 | 176.4° | 180.0° |
| C26 | C17 | C20 | C44 | 56.4° | 60.0° |
| C26 | C17 | C20 | H20 | 63.3° | 60.0° |
| H26 | C26 | C17 | O13 | 56.6° | 60.0° |
| H26 | C26 | C17 | C20 | 63.5° | 60.0° |
| H26 | C26 | C17 | H17 | 177.2° | 180.0° |
| O13 | C17 | C20 | H17 | 120.6° | 120.1° |
| O13 | C17 | C20 | O12 | 63.7° | 60.0° |
| O13 | C17 | C20 | C44 | 176.3° | 180.0° |
| O13 | C17 | C20 | H20 | 56.7° | 59.9° |
| C20 | C17 | O13 | HO13 | 123.0° | 60.1° |
| C17 | C20 | O12 | C44 | 120.8° | 120.0° |
| C17 | C20 | O12 | H20 | 119.5° | 120.0° |
| C17 | C20 | C44 | H20 | 119.5° | 120.0° |
| C17 | C20 | O12 | HO12 | 169.6° | 60.0° |
| C17 | C20 | C44 | O11 | 60.9° | 60.0° |
| C17 | C20 | C44 | H44 | 178.6° | 180.0° |
| H17 | C17 | O13 | HO13 | 3.7° | 60.0° |
| H17 | C17 | C20 | O12 | 56.9° | 60.0° |
| H17 | C17 | C20 | C44 | 63.1° | 59.9° |
| H17 | C17 | C20 | H20 | 177.2° | 180.0° |
| O12 | C20 | C44 | H20 | 120.3° | 120.0° |
| O12 | C20 | C44 | O11 | 59.3° | 60.0° |
| O12 | C20 | C44 | H44 | 61.3° | 60.0° |
| C44 | C20 | O12 | HO12 | 48.8° | 180.0° |
| C20 | C44 | O11 | H44 | 120.0° | 120.0° |
| C20 | C44 | O11 | HO11 | 171.5° | 60.0° |
| H20 | C20 | O12 | HO12 | 70.8° | 60.0° |
| H20 | C20 | C44 | O11 | 179.6° | 180.0° |
| H20 | C20 | C44 | H44 | 59.1° | 60.0° |
| H44 | C44 | O11 | HO11 | 68.5° | 60.0° |
| O8 | C27 | O6 | C25 | 178.8° | 180.0° |
| O8 | C27 | C25 | C24 | 92.4° | 180.0° |
| O8 | C27 | C25 | H25 | 27.6° | 60.0° |
| O8 | C27 | C25 | H25A | 149.0° | 60.1° |
| O6 | C27 | C25 | C24 | 88.8° | 0.0° |
| O6 | C27 | C25 | H25 | 151.2° | 120.0° |
| O6 | C27 | C25 | H25A | 29.8° | 120.0° |
| C27 | C25 | C24 | H25 | 120.0° | 120.1° |
| C27 | C25 | C24 | H25A | 118.7° | 120.0° |
| C27 | C25 | H25 | H25A | 118.7° | 120.0° |
| C27 | C25 | C24 | C23 | 54.7° | 180.0° |
| C27 | C25 | C24 | H24 | 65.3° | 59.9° |
| C27 | C25 | C24 | H24A | 173.8° | 60.0° |
| C24 | C25 | H25 | H25A | 118.7° | 119.9° |
| C25 | C24 | C23 | H24 | 120.0° | 120.0° |
| C25 | C24 | C23 | H24A | 119.1° | 120.0° |
| C25 | C24 | H24 | H24A | 119.2° | 119.9° |
| C25 | C24 | C23 | C14 | 171.5° | 180.0° |
| C25 | C24 | C23 | H23 | 51.5° | 59.9° |
| C25 | C24 | C23 | H23A | 69.2° | 60.0° |
| H25 | C25 | C24 | C23 | 174.7° | 60.0° |
| H25 | C25 | C24 | H24 | 54.7° | 180.0° |
| H25 | C25 | C24 | H24A | 66.2° | 60.1° |
| H25A | C25 | C24 | C23 | 63.9° | 60.0° |
| H25A | C25 | C24 | H24 | 176.1° | 60.0° |
| H25A | C25 | C24 | H24A | 55.2° | 180.0° |
| C23 | C24 | H24 | H24A | 119.1° | 120.0° |
| C24 | C23 | C14 | H23 | 120.0° | 120.0° |
| C24 | C23 | C14 | H23A | 119.3° | 120.0° |
| C24 | C23 | H23 | H23A | 119.3° | 119.9° |
| C24 | C23 | C14 | C13 | 174.2° | 180.0° |
| C24 | C23 | C14 | H14 | 54.2° | 60.0° |
| C24 | C23 | C14 | H14A | 66.4° | 60.0° |
| H24 | C24 | C23 | C14 | 68.5° | 60.0° |
| H24 | C24 | C23 | H23 | 171.5° | 180.0° |
| H24 | C24 | C23 | H23A | 50.8° | 60.0° |
| H24A | C24 | C23 | C14 | 52.3° | 60.0° |
| H24A | C24 | C23 | H23 | 67.6° | 60.1° |
| H24A | C24 | C23 | H23A | 171.6° | 180.0° |
| C14 | C23 | H23 | H23A | 119.3° | 120.1° |
| C23 | C14 | C13 | H14 | 120.0° | 120.0° |
| C23 | C14 | C13 | H14A | 119.4° | 120.0° |
| C23 | C14 | H14 | H14A | 119.4° | 120.0° |
| C23 | C14 | C13 | C12 | 174.1° | 180.0° |
| C23 | C14 | C13 | H13 | 54.1° | 60.0° |
| C23 | C14 | C13 | H13A | 66.7° | 60.0° |
| H23 | C23 | C14 | C13 | 65.8° | 60.0° |
| H23 | C23 | C14 | H14 | 174.2° | 180.0° |
| H23 | C23 | C14 | H14A | 53.6° | 60.0° |
| H23A | C23 | C14 | C13 | 54.9° | 60.0° |
| H23A | C23 | C14 | H14 | 65.1° | 59.9° |
| H23A | C23 | C14 | H14A | 174.3° | 179.9° |
| C13 | C14 | H14 | H14A | 119.4° | 120.0° |
| C14 | C13 | C12 | H13 | 120.0° | 119.9° |
| C14 | C13 | C12 | H13A | 119.2° | 120.0° |
| C14 | C13 | H13 | H13A | 119.3° | 119.9° |
| C14 | C13 | C12 | C11 | 178.3° | 180.0° |
| C14 | C13 | C12 | H12 | 58.3° | 60.1° |
| C14 | C13 | C12 | H12A | 62.3° | 60.0° |
| H14 | C14 | C13 | C12 | 65.9° | 60.0° |
| H14 | C14 | C13 | H13 | 174.1° | 180.0° |
| H14 | C14 | C13 | H13A | 53.3° | 60.0° |
| H14A | C14 | C13 | C12 | 54.7° | 60.0° |
| H14A | C14 | C13 | H13 | 65.3° | 60.0° |
| H14A | C14 | C13 | H13A | 173.9° | 180.0° |
| C12 | C13 | H13 | H13A | 119.2° | 120.1° |
| C13 | C12 | C11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C11 | H12A | 119.4° | 120.0° |
| C13 | C12 | H12 | H12A | 119.4° | 120.1° |
| C13 | C12 | C11 | C10 | 172.2° | 180.0° |
| C13 | C12 | C11 | H11 | 52.2° | 60.0° |
| C13 | C12 | C11 | H11A | 68.3° | 60.0° |
| H13 | C13 | C12 | C11 | 61.7° | 60.0° |
| H13 | C13 | C12 | H12 | 178.3° | 180.0° |
| H13 | C13 | C12 | H12A | 57.7° | 59.9° |
| H13A | C13 | C12 | C11 | 59.1° | 60.0° |
| H13A | C13 | C12 | H12 | 60.9° | 59.9° |
| H13A | C13 | C12 | H12A | 178.5° | 180.0° |
| C11 | C12 | H12 | H12A | 119.5° | 120.0° |
| C12 | C11 | C10 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | H11A | 119.5° | 120.0° |
| C12 | C11 | H11 | H11A | 119.5° | 120.0° |
| C12 | C11 | C10 | C9 | 126.2° | 127.6° |
| C12 | C11 | C10 | H10 | 53.8° | 52.4° |
| H12 | C12 | C11 | C10 | 67.8° | 60.0° |
| H12 | C12 | C11 | H11 | 172.2° | 180.0° |
| H12 | C12 | C11 | H11A | 51.7° | 60.0° |
| H12A | C12 | C11 | C10 | 52.8° | 60.0° |
| H12A | C12 | C11 | H11 | 67.2° | 60.0° |
| H12A | C12 | C11 | H11A | 172.2° | 180.0° |
| C10 | C11 | H11 | H11A | 119.5° | 119.9° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 7.6° |
| C11 | C10 | C9 | H9 | 180.0° | 172.5° |
| H11 | C11 | C10 | C9 | 113.8° | 7.6° |
| H11 | C11 | C10 | H10 | 66.2° | 172.4° |
| H11A | C11 | C10 | C9 | 6.7° | 112.3° |
| H11A | C11 | C10 | H10 | 173.3° | 67.6° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 168.4° | 126.4° |
| C10 | C9 | C8 | H8 | 71.7° | 113.7° |
| C10 | C9 | C8 | H8A | 48.7° | 6.3° |
| H10 | C10 | C9 | C8 | 180.0° | 172.4° |
| H10 | C10 | C9 | H9 | 0.0° | 7.6° |
| C9 | C8 | C7 | H8 | 120.0° | 119.9° |
| C9 | C8 | C7 | H8A | 119.7° | 120.0° |
| C9 | C8 | H8 | H8A | 119.7° | 120.0° |
| C9 | C8 | C7 | C6 | 59.2° | 180.0° |
| C9 | C8 | C7 | H7 | 179.2° | 60.0° |
| C9 | C8 | C7 | H7A | 60.3° | 60.0° |
| H9 | C9 | C8 | C7 | 11.6° | 53.6° |
| H9 | C9 | C8 | H8 | 108.3° | 66.4° |
| H9 | C9 | C8 | H8A | 131.3° | 173.7° |
| C7 | C8 | H8 | H8A | 119.7° | 120.1° |
| C8 | C7 | C6 | H7 | 120.0° | 119.9° |
| C8 | C7 | C6 | H7A | 119.5° | 120.0° |
| C8 | C7 | H7 | H7A | 119.5° | 120.0° |
| C8 | C7 | C6 | C5 | 175.1° | 180.0° |
| C8 | C7 | C6 | H6 | 55.1° | 60.1° |
| C8 | C7 | C6 | H6A | 65.5° | 60.0° |
| H8 | C8 | C7 | C6 | 60.8° | 60.1° |
| H8 | C8 | C7 | H7 | 59.2° | 180.0° |
| H8 | C8 | C7 | H7A | 179.7° | 59.9° |
| H8A | C8 | C7 | C6 | 178.8° | 59.9° |
| H8A | C8 | C7 | H7 | 61.2° | 60.0° |
| H8A | C8 | C7 | H7A | 59.3° | 180.0° |
| C6 | C7 | H7 | H7A | 119.5° | 120.0° |
| C7 | C6 | C5 | H6 | 120.0° | 119.9° |
| C7 | C6 | C5 | H6A | 119.3° | 120.0° |
| C7 | C6 | H6 | H6A | 119.3° | 120.0° |
| C7 | C6 | C5 | H5 | 59.0° | 60.0° |
| C7 | C6 | C5 | H5A | 61.7° | 60.0° |
| H7 | C7 | C6 | C5 | 64.9° | 60.0° |
| H7 | C7 | C6 | H6 | 175.1° | 180.0° |
| H7 | C7 | C6 | H6A | 54.5° | 59.9° |
| H7A | C7 | C6 | C5 | 55.7° | 60.0° |
| H7A | C7 | C6 | H6 | 64.3° | 60.0° |
| H7A | C7 | C6 | H6A | 175.0° | 180.0° |
| C5 | C6 | H6 | H6A | 119.4° | 120.0° |
| C6 | C5 | H5 | H5A | 119.4° | 120.0° |
| H6 | C6 | C5 | H5 | 61.0° | 59.9° |
| H6 | C6 | C5 | H5A | 178.3° | 180.0° |
| H6A | C6 | C5 | H5 | 178.3° | 180.0° |
| H6A | C6 | C5 | H5A | 57.6° | 60.0° |
