A1BHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C03 | O02 | sing | 1.35Å | 1.40Å | |
| N04 | C03 | doub | 1.33Å | 1.33Å | Aromatic |
| C05 | N04 | sing | 1.32Å | 1.33Å | Aromatic |
| N06 | C05 | doub | 1.32Å | 1.32Å | Aromatic |
| C07 | N06 | sing | 1.32Å | 1.33Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C11 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.41Å | |
| N13 | C12 | doub | 1.33Å | 1.33Å | Aromatic |
| C14 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.43Å | Aromatic |
| N16 | C15 | sing | 1.39Å | 1.37Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| F19 | C18 | sing | 1.40Å | 1.37Å | |
| F20 | C18 | sing | 1.40Å | 1.37Å | |
| F21 | C18 | sing | 1.40Å | 1.37Å | |
| C17 | N16 | sing | 1.47Å | 1.47Å | |
| C22 | N16 | sing | 1.37Å | 1.35Å | |
| N23 | C22 | doub | 1.31Å | 1.26Å | |
| N24 | C22 | sing | 1.37Å | 1.34Å | |
| C26 | C25 | sing | 1.51Å | 1.57Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C29 | sing | 1.48Å | 1.41Å | |
| N33 | C32 | doub | 1.31Å | 1.33Å | Aromatic |
| C34 | N33 | sing | 1.34Å | 1.34Å | Aromatic |
| N36 | C35 | sing | 1.37Å | 1.33Å | Aromatic |
| C37 | N36 | sing | 1.47Å | 1.47Å | |
| C35 | C34 | doub | 1.35Å | 1.40Å | Aromatic |
| C38 | C34 | sing | 1.51Å | 1.55Å | |
| F39 | C38 | sing | 1.40Å | 1.37Å | |
| F40 | C38 | sing | 1.40Å | 1.37Å | |
| F41 | C38 | sing | 1.40Å | 1.37Å | |
| C25 | N24 | sing | 1.46Å | 1.48Å | |
| C42 | N24 | sing | 1.38Å | 1.37Å | |
| N43 | C42 | doub | 1.32Å | 1.37Å | Aromatic |
| C03 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C08 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | N43 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C42 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | N36 | sing | 1.36Å | 1.33Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 113.8° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C03 | N04 | 120.2° | 120.6° |
| O02 | C03 | C11 | 120.3° | 120.6° |
| C03 | N04 | C05 | 120.7° | 120.8° |
| N04 | C03 | C11 | 119.6° | 118.8° |
| N04 | C05 | N06 | 121.5° | 122.1° |
| N04 | C05 | H051 | 119.3° | 118.9° |
| C05 | N06 | C07 | 121.4° | 121.1° |
| N06 | C05 | H051 | 119.3° | 118.9° |
| N06 | C07 | C08 | 119.1° | 120.5° |
| N06 | C07 | C11 | 118.8° | 119.0° |
| C08 | C09 | C10 | 60.1° | 60.0° |
| C09 | C08 | C07 | 109.1° | 117.5° |
| C09 | C08 | C10 | 59.8° | 59.9° |
| C09 | C08 | H081 | 109.2° | 117.5° |
| C08 | C09 | H091 | 120.0° | 117.5° |
| C08 | C09 | H092 | 120.0° | 117.5° |
| C09 | C10 | C08 | 60.1° | 60.0° |
| C09 | C10 | H101 | 120.0° | 117.5° |
| C09 | C10 | H102 | 120.0° | 117.5° |
| C10 | C09 | H091 | 120.0° | 117.5° |
| C10 | C09 | H092 | 120.0° | 117.5° |
| C08 | C07 | C11 | 122.2° | 120.5° |
| C07 | C08 | C10 | 141.6° | 117.5° |
| C07 | C08 | H081 | 109.2° | 115.6° |
| C07 | C11 | C12 | 122.7° | 120.9° |
| C07 | C11 | C03 | 118.2° | 118.1° |
| C11 | C12 | N13 | 119.2° | 119.0° |
| C12 | C11 | C03 | 119.2° | 121.0° |
| C11 | C12 | N43 | 119.3° | 119.0° |
| C12 | N13 | C14 | 121.2° | 120.9° |
| N13 | C12 | N43 | 121.5° | 122.0° |
| N13 | C14 | C15 | 118.7° | 118.9° |
| N13 | C14 | H141 | 120.6° | 120.5° |
| C14 | C15 | N16 | 134.5° | 133.9° |
| C14 | C15 | C42 | 118.5° | 118.7° |
| C15 | C14 | H141 | 120.6° | 120.5° |
| C15 | N16 | C17 | 126.0° | 126.0° |
| C15 | N16 | C22 | 108.6° | 108.0° |
| N16 | C15 | C42 | 107.0° | 107.4° |
| C17 | C18 | F19 | 109.2° | 109.5° |
| C17 | C18 | F20 | 109.8° | 109.5° |
| C17 | C18 | F21 | 109.3° | 109.5° |
| C18 | C17 | N16 | 108.8° | 109.5° |
| C18 | C17 | H171 | 109.6° | 109.6° |
| C18 | C17 | H172 | 109.6° | 109.5° |
| F19 | C18 | F20 | 109.1° | 109.5° |
| F19 | C18 | F21 | 109.5° | 109.5° |
| F20 | C18 | F21 | 109.8° | 109.5° |
| C17 | N16 | C22 | 125.4° | 126.0° |
| N16 | C17 | H171 | 109.6° | 109.4° |
| N16 | C17 | H172 | 109.6° | 109.4° |
| N16 | C22 | N23 | 125.7° | 125.6° |
| N16 | C22 | N24 | 108.3° | 108.8° |
| N23 | C22 | N24 | 126.0° | 125.6° |
| C22 | N23 | H231 | 112.0° | 120.0° |
| C22 | N24 | C25 | 126.0° | 125.8° |
| C22 | N24 | C42 | 108.3° | 108.4° |
| C25 | C26 | C27 | 119.7° | 119.8° |
| C26 | C25 | N24 | 107.4° | 109.4° |
| C25 | C26 | C31 | 120.3° | 119.9° |
| C26 | C25 | H251 | 110.0° | 109.5° |
| C26 | C25 | H252 | 110.0° | 109.5° |
| C26 | C27 | C28 | 120.1° | 120.1° |
| C27 | C26 | C31 | 120.1° | 120.3° |
| C26 | C27 | H271 | 119.9° | 119.9° |
| C27 | C28 | C29 | 119.9° | 119.9° |
| C27 | C28 | H281 | 120.1° | 120.0° |
| C28 | C27 | H271 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.0° | 119.7° |
| C28 | C29 | C32 | 120.0° | 120.2° |
| C29 | C28 | H281 | 120.0° | 120.1° |
| C31 | C30 | C29 | 120.1° | 119.9° |
| C30 | C31 | C26 | 119.8° | 120.1° |
| C31 | C30 | H301 | 119.9° | 120.0° |
| C30 | C31 | H311 | 120.1° | 119.9° |
| C30 | C29 | C32 | 120.1° | 120.2° |
| C29 | C30 | H301 | 119.9° | 120.1° |
| C29 | C32 | N33 | 125.5° | 125.9° |
| C29 | C32 | N36 | 125.3° | 125.8° |
| C32 | N33 | C34 | 108.4° | 109.3° |
| N33 | C32 | N36 | 109.2° | 108.3° |
| N33 | C34 | C35 | 107.1° | 108.3° |
| N33 | C34 | C38 | 126.8° | 125.9° |
| C35 | N36 | C37 | 125.5° | 126.5° |
| N36 | C35 | C34 | 106.8° | 107.0° |
| C35 | N36 | C32 | 108.6° | 107.0° |
| N36 | C35 | H351 | 126.6° | 126.5° |
| C37 | N36 | C32 | 125.9° | 126.5° |
| N36 | C37 | H373 | 109.5° | 109.5° |
| N36 | C37 | H371 | 109.5° | 109.4° |
| N36 | C37 | H372 | 109.4° | 109.5° |
| C35 | C34 | C38 | 126.2° | 125.8° |
| C34 | C35 | H351 | 126.6° | 126.4° |
| C34 | C38 | F39 | 109.4° | 109.4° |
| C34 | C38 | F40 | 109.7° | 109.5° |
| C34 | C38 | F41 | 109.5° | 109.5° |
| F39 | C38 | F40 | 109.6° | 109.5° |
| F39 | C38 | F41 | 109.1° | 109.5° |
| F40 | C38 | F41 | 109.5° | 109.4° |
| C25 | N24 | C42 | 125.7° | 125.8° |
| N24 | C25 | H251 | 110.0° | 109.5° |
| N24 | C25 | H252 | 110.0° | 109.4° |
| N24 | C42 | N43 | 132.4° | 133.6° |
| N24 | C42 | C15 | 107.8° | 107.4° |
| C42 | N43 | C12 | 120.3° | 120.4° |
| N43 | C42 | C15 | 119.8° | 119.0° |
| C08 | C10 | H101 | 120.0° | 117.5° |
| C08 | C10 | H102 | 120.0° | 117.5° |
| C10 | C08 | H081 | 109.1° | 117.5° |
| C26 | C31 | H311 | 120.1° | 119.9° |
| H101 | C10 | H102 | 109.5° | 115.6° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 115.6° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H373 | C37 | H371 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | N04 | 15.0° | 0.3° |
| C01 | O02 | C03 | C11 | 164.7° | 179.9° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.1° |
| O02 | C01 | H012 | H011 | 120.0° | 120.1° |
| O02 | C03 | N04 | C11 | 179.7° | 179.7° |
| O02 | C03 | N04 | C05 | 179.9° | 179.9° |
| O02 | C03 | C11 | C07 | 179.9° | 180.0° |
| O02 | C03 | C11 | C12 | 0.5° | 0.1° |
| C03 | O02 | C01 | H013 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| C03 | N04 | C05 | N06 | 0.1° | 0.1° |
| N04 | C03 | C11 | C07 | 0.3° | 0.3° |
| N04 | C03 | C11 | C12 | 179.8° | 179.8° |
| C03 | N04 | C05 | H051 | 179.9° | 180.0° |
| N04 | C05 | N06 | H051 | 180.0° | 179.9° |
| N04 | C05 | N06 | C07 | 0.1° | 0.3° |
| C05 | N04 | C03 | C11 | 0.3° | 0.3° |
| C05 | N06 | C07 | C08 | 179.9° | 180.0° |
| C05 | N06 | C07 | C11 | 0.1° | 0.3° |
| N06 | C07 | C08 | C09 | 2.6° | 13.4° |
| N06 | C07 | C08 | C11 | 179.8° | 179.7° |
| N06 | C07 | C11 | C12 | 179.6° | 179.9° |
| N06 | C07 | C11 | C03 | 0.1° | 0.0° |
| N06 | C07 | C08 | C10 | 62.6° | 55.1° |
| C07 | N06 | C05 | H051 | 179.9° | 179.7° |
| N06 | C07 | C08 | H081 | 121.7° | 159.2° |
| C08 | C09 | C10 | H091 | 109.5° | 107.4° |
| C08 | C09 | C10 | H092 | 109.5° | 107.5° |
| C09 | C08 | C07 | C10 | 65.1° | 68.6° |
| C09 | C08 | C07 | H081 | 119.2° | 145.8° |
| C09 | C08 | C07 | C11 | 177.6° | 166.9° |
| C09 | C08 | C10 | H081 | 101.5° | 107.5° |
| C08 | C09 | C10 | H101 | 109.5° | 107.5° |
| C08 | C09 | C10 | H102 | 109.5° | 107.5° |
| C08 | C09 | H091 | H092 | 144.7° | 145.6° |
| C09 | C10 | H101 | H102 | 144.7° | 145.7° |
| C10 | C09 | H091 | H092 | 144.7° | 145.8° |
| C08 | C07 | C11 | C12 | 0.2° | 0.2° |
| C08 | C07 | C11 | C03 | 179.7° | 179.7° |
| C07 | C08 | C10 | H081 | 175.7° | 145.0° |
| C07 | C08 | C10 | H101 | 167.7° | 0.0° |
| C07 | C08 | C10 | H102 | 26.8° | 145.0° |
| C07 | C08 | C09 | H091 | 111.2° | 0.1° |
| C07 | C08 | C09 | H092 | 29.8° | 145.0° |
| C07 | C11 | C12 | C03 | 179.5° | 179.9° |
| C07 | C11 | C12 | N13 | 121.6° | 49.3° |
| C11 | C07 | C08 | C10 | 117.3° | 124.6° |
| C07 | C11 | C12 | N43 | 59.6° | 130.7° |
| C11 | C07 | C08 | H081 | 58.4° | 21.1° |
| C11 | C12 | N13 | N43 | 178.8° | 180.0° |
| C11 | C12 | N13 | C14 | 179.7° | 180.0° |
| C11 | C12 | N43 | C42 | 179.8° | 180.0° |
| C12 | N13 | C14 | C15 | 0.5° | 0.0° |
| N13 | C12 | N43 | C42 | 1.0° | 0.0° |
| N13 | C12 | C11 | C03 | 58.9° | 130.7° |
| C12 | N13 | C14 | H141 | 179.5° | 180.0° |
| N13 | C14 | C15 | H141 | 180.0° | 180.0° |
| N13 | C14 | C15 | N16 | 179.8° | 179.7° |
| C14 | N13 | C12 | N43 | 0.8° | 0.1° |
| N13 | C14 | C15 | C42 | 0.2° | 0.0° |
| C14 | C15 | N16 | C42 | 179.6° | 179.7° |
| C14 | C15 | N16 | C17 | 0.6° | 0.0° |
| C14 | C15 | N16 | C22 | 179.8° | 180.0° |
| C14 | C15 | C42 | N24 | 180.0° | 180.0° |
| C14 | C15 | C42 | N43 | 0.4° | 0.0° |
| C15 | N16 | C17 | C18 | 101.8° | 89.9° |
| C15 | N16 | C17 | C22 | 179.6° | 180.0° |
| C15 | N16 | C22 | N23 | 179.8° | 180.0° |
| C15 | N16 | C22 | N24 | 0.1° | 0.2° |
| N16 | C15 | C42 | N24 | 0.3° | 0.2° |
| N16 | C15 | C42 | N43 | 179.9° | 179.7° |
| C15 | N16 | C17 | H171 | 138.3° | 150.0° |
| C15 | N16 | C17 | H172 | 18.1° | 30.0° |
| N16 | C15 | C14 | H141 | 0.1° | 0.3° |
| C17 | C18 | F19 | F20 | 120.1° | 120.0° |
| C17 | C18 | F19 | F21 | 119.7° | 120.0° |
| C17 | C18 | F20 | F21 | 120.2° | 120.0° |
| C18 | C17 | N16 | H171 | 119.9° | 120.1° |
| C18 | C17 | N16 | H172 | 119.9° | 120.0° |
| C18 | C17 | N16 | C22 | 77.8° | 90.0° |
| C18 | C17 | H171 | H172 | 120.3° | 120.1° |
| F19 | C18 | F20 | F21 | 120.1° | 120.0° |
| F19 | C18 | C17 | N16 | 9.6° | 60.0° |
| F19 | C18 | C17 | H171 | 129.5° | 180.0° |
| F19 | C18 | C17 | H172 | 110.3° | 60.0° |
| F20 | C18 | C17 | N16 | 129.2° | 180.0° |
| F20 | C18 | C17 | H171 | 110.9° | 60.0° |
| F20 | C18 | C17 | H172 | 9.3° | 60.0° |
| F21 | C18 | C17 | N16 | 110.2° | 60.1° |
| F21 | C18 | C17 | H171 | 9.7° | 60.0° |
| F21 | C18 | C17 | H172 | 129.9° | 180.0° |
| C17 | N16 | C22 | N23 | 0.1° | 0.0° |
| C17 | N16 | C22 | N24 | 179.6° | 179.8° |
| C17 | N16 | C15 | C42 | 179.8° | 179.7° |
| N16 | C17 | H171 | H172 | 120.3° | 119.9° |
| N16 | C22 | N23 | N24 | 179.7° | 179.7° |
| N16 | C22 | N24 | C25 | 179.5° | 179.8° |
| N16 | C22 | N24 | C42 | 0.3° | 0.1° |
| C22 | N16 | C15 | C42 | 0.1° | 0.3° |
| C22 | N16 | C17 | H171 | 42.1° | 30.0° |
| C22 | N16 | C17 | H172 | 162.3° | 150.0° |
| N16 | C22 | N23 | H231 | 179.7° | 179.9° |
| N23 | C22 | N24 | C25 | 0.7° | 0.1° |
| N23 | C22 | N24 | C42 | 180.0° | 179.9° |
| C22 | N24 | C25 | C26 | 81.0° | 89.9° |
| C22 | N24 | C25 | C42 | 179.2° | 179.9° |
| C22 | N24 | C42 | N43 | 179.9° | 179.9° |
| C22 | N24 | C42 | C15 | 0.4° | 0.1° |
| C22 | N24 | C25 | H251 | 38.6° | 150.1° |
| C22 | N24 | C25 | H252 | 159.3° | 30.1° |
| N24 | C22 | N23 | H231 | 0.0° | 0.3° |
| C25 | C26 | C27 | C31 | 179.5° | 179.8° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C31 | C30 | 179.8° | 180.0° |
| C26 | C25 | N24 | H251 | 119.7° | 120.0° |
| C26 | C25 | N24 | H252 | 119.7° | 120.0° |
| C26 | C25 | N24 | C42 | 98.1° | 90.0° |
| C26 | C25 | H251 | H252 | 120.9° | 120.0° |
| C25 | C26 | C27 | H271 | 0.2° | 0.0° |
| C25 | C26 | C31 | H311 | 0.2° | 0.1° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.2° |
| C27 | C26 | C25 | N24 | 53.2° | 89.8° |
| C26 | C27 | C28 | H281 | 179.8° | 180.0° |
| C27 | C26 | C25 | H251 | 172.9° | 30.2° |
| C27 | C26 | C25 | H252 | 66.5° | 150.3° |
| C27 | C26 | C31 | H311 | 179.7° | 179.7° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | C32 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 0.3° | 0.2° |
| C28 | C29 | C30 | C31 | 0.0° | 0.4° |
| C28 | C29 | C30 | C32 | 180.0° | 179.7° |
| C28 | C29 | C32 | N33 | 77.0° | 161.7° |
| C28 | C29 | C32 | N36 | 103.0° | 18.6° |
| C29 | C28 | C27 | H271 | 179.8° | 180.0° |
| C28 | C29 | C30 | H301 | 179.9° | 180.0° |
| C31 | C30 | C29 | H301 | 180.0° | 179.7° |
| C31 | C30 | C29 | C32 | 180.0° | 179.9° |
| C30 | C31 | C26 | H311 | 180.0° | 179.9° |
| C30 | C29 | C32 | N33 | 102.9° | 18.0° |
| C29 | C30 | C31 | C26 | 0.2° | 0.1° |
| C30 | C29 | C32 | N36 | 77.0° | 161.7° |
| C30 | C29 | C28 | H281 | 179.9° | 179.7° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| C29 | C32 | N33 | N36 | 180.0° | 179.7° |
| C29 | C32 | N33 | C34 | 180.0° | 180.0° |
| C29 | C32 | N36 | C35 | 180.0° | 180.0° |
| C29 | C32 | N36 | C37 | 0.2° | 0.0° |
| C32 | C29 | C28 | H281 | 0.0° | 0.0° |
| C32 | C29 | C30 | H301 | 0.0° | 0.3° |
| N33 | C32 | N36 | C35 | 0.1° | 0.3° |
| N33 | C32 | N36 | C37 | 179.8° | 179.8° |
| C32 | N33 | C34 | C35 | 0.0° | 0.2° |
| C32 | N33 | C34 | C38 | 179.9° | 180.0° |
| N33 | C34 | C35 | N36 | 0.0° | 0.0° |
| N33 | C34 | C35 | C38 | 179.9° | 179.9° |
| N33 | C34 | C38 | F39 | 80.4° | 5.0° |
| N33 | C34 | C38 | F40 | 39.8° | 125.0° |
| N33 | C34 | C38 | F41 | 160.0° | 115.0° |
| C34 | N33 | C32 | N36 | 0.0° | 0.3° |
| N33 | C34 | C35 | H351 | 180.0° | 180.0° |
| C35 | N36 | C37 | C32 | 179.7° | 180.0° |
| N36 | C35 | C34 | H351 | 180.0° | 180.0° |
| N36 | C35 | C34 | C38 | 179.9° | 179.8° |
| C35 | N36 | C37 | H373 | 180.0° | 95.8° |
| C35 | N36 | C37 | H371 | 60.0° | 24.2° |
| C35 | N36 | C37 | H372 | 60.0° | 144.2° |
| C37 | N36 | C35 | C34 | 179.8° | 179.8° |
| C37 | N36 | C35 | H351 | 0.2° | 0.2° |
| N36 | C37 | H373 | H371 | 120.0° | 120.0° |
| N36 | C37 | H373 | H372 | 120.0° | 120.0° |
| N36 | C37 | H371 | H372 | 120.0° | 120.0° |
| C35 | C34 | C38 | F39 | 99.7° | 174.8° |
| C35 | C34 | C38 | F40 | 140.1° | 54.8° |
| C35 | C34 | C38 | F41 | 19.9° | 65.2° |
| C34 | C35 | N36 | C32 | 0.1° | 0.2° |
| C34 | C38 | F39 | F40 | 120.3° | 120.0° |
| C34 | C38 | F39 | F41 | 119.8° | 120.0° |
| C34 | C38 | F40 | F41 | 120.2° | 120.0° |
| C38 | C34 | C35 | H351 | 0.1° | 0.2° |
| F39 | C38 | F40 | F41 | 119.7° | 120.0° |
| C25 | N24 | C42 | N43 | 0.8° | 0.0° |
| C25 | N24 | C42 | C15 | 179.6° | 180.0° |
| N24 | C25 | C26 | C31 | 126.2° | 90.0° |
| N24 | C25 | H251 | H252 | 121.0° | 120.0° |
| N24 | C42 | N43 | C15 | 179.5° | 179.9° |
| N24 | C42 | N43 | C12 | 179.7° | 180.0° |
| C42 | N24 | C25 | H251 | 142.2° | 29.9° |
| C42 | N24 | C25 | H252 | 21.6° | 150.0° |
| C03 | C11 | C12 | N43 | 119.9° | 49.4° |
| C08 | C10 | H101 | H102 | 144.7° | 145.6° |
| C12 | N43 | C42 | C15 | 0.7° | 0.0° |
| C42 | C15 | C14 | H141 | 179.8° | 180.0° |
| C31 | C26 | C25 | H251 | 6.6° | 150.0° |
| C31 | C26 | C25 | H252 | 114.1° | 29.9° |
| C31 | C26 | C27 | H271 | 179.7° | 179.8° |
| C26 | C31 | C30 | H301 | 179.8° | 179.8° |
| C32 | N36 | C35 | H351 | 180.0° | 179.8° |
| C32 | N36 | C37 | H373 | 0.3° | 84.2° |
| C32 | N36 | C37 | H371 | 119.7° | 155.8° |
| C32 | N36 | C37 | H372 | 120.3° | 35.8° |
| H101 | C10 | C08 | H081 | 8.0° | 145.0° |
| H101 | C10 | C09 | H091 | 0.0° | 0.0° |
| H101 | C10 | C09 | H092 | 141.0° | 145.1° |
| H102 | C10 | C08 | H081 | 148.9° | 0.0° |
| H102 | C10 | C09 | H091 | 141.0° | 145.1° |
| H102 | C10 | C09 | H092 | 0.0° | 0.0° |
| H281 | C28 | C27 | H271 | 0.2° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 119.9° |
| H081 | C08 | C09 | H091 | 8.0° | 145.0° |
| H081 | C08 | C09 | H092 | 149.0° | 0.1° |
| H301 | C30 | C31 | H311 | 0.2° | 0.4° |
| H373 | C37 | H371 | H372 | 120.0° | 120.0° |
