A1C4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C30 | sing | 1.40Å | 1.37Å | |
| C25 | N26 | doub | 1.30Å | 1.33Å | Aromatic |
| C25 | N23 | sing | 1.36Å | 1.34Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | O33 | sing | 1.44Å | 1.41Å | |
| C30 | O29 | sing | 1.44Å | 1.42Å | |
| C30 | F31 | sing | 1.40Å | 1.36Å | |
| O33 | C34 | sing | 1.37Å | 1.40Å | |
| N26 | C21 | sing | 1.36Å | 1.37Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.45Å | |
| N23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C43 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| O29 | C28 | sing | 1.36Å | 1.40Å | |
| C34 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.44Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.43Å | |
| C22 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | N09 | sing | 1.47Å | 1.48Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C27 | C37 | sing | 1.40Å | 1.37Å | Aromatic |
| C27 | C20 | sing | 1.48Å | 1.49Å | |
| C20 | C15 | doub | 1.40Å | 1.37Å | Aromatic |
| C38 | C07 | sing | 1.51Å | 1.54Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| N09 | C11 | sing | 1.35Å | 1.43Å | |
| N09 | C10 | sing | 1.47Å | 1.50Å | |
| C13 | C11 | sing | 1.47Å | 1.51Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | O12 | doub | 1.22Å | 1.18Å | |
| C40 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C05 | sing | 1.53Å | 1.54Å | |
| N02 | C03 | sing | 1.35Å | 1.45Å | |
| C07 | C06 | sing | 1.53Å | 1.49Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.39Å | |
| C06 | C05 | sing | 1.53Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C05 | C03 | sing | 1.51Å | 1.57Å | |
| O16 | C17 | sing | 1.43Å | 1.42Å | |
| C03 | O04 | doub | 1.21Å | 1.16Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C30 | O33 | 106.6° | 110.5° |
| F32 | C30 | O29 | 110.7° | 110.6° |
| F32 | C30 | F31 | 113.2° | 110.7° |
| N26 | C25 | N23 | 108.6° | 110.0° |
| C25 | N26 | C21 | 108.6° | 109.5° |
| N26 | C25 | H251 | 125.7° | 125.0° |
| C25 | N23 | C24 | 123.1° | 126.4° |
| C25 | N23 | C22 | 108.7° | 107.3° |
| N23 | C25 | H251 | 125.7° | 125.0° |
| C43 | C42 | C41 | 119.2° | 120.0° |
| C42 | C43 | C38 | 121.1° | 120.0° |
| C43 | C42 | H421 | 120.4° | 120.0° |
| C42 | C43 | H431 | 119.4° | 120.0° |
| C42 | C41 | C40 | 119.3° | 120.0° |
| C42 | C41 | H411 | 120.3° | 120.0° |
| C41 | C42 | H421 | 120.4° | 120.0° |
| O33 | C30 | O29 | 111.2° | 103.7° |
| O33 | C30 | F31 | 108.9° | 110.6° |
| C30 | O33 | C34 | 105.1° | 105.4° |
| O29 | C30 | F31 | 106.2° | 110.6° |
| C30 | O29 | C28 | 103.6° | 105.5° |
| O33 | C34 | C35 | 130.1° | 131.4° |
| O33 | C34 | C28 | 109.2° | 108.6° |
| N26 | C21 | C22 | 107.3° | 107.0° |
| N26 | C21 | C20 | 132.4° | 133.4° |
| C24 | N23 | C22 | 128.2° | 126.3° |
| N23 | C24 | H243 | 109.5° | 109.5° |
| N23 | C24 | H241 | 109.5° | 109.5° |
| N23 | C24 | H242 | 109.5° | 109.5° |
| N23 | C22 | C21 | 106.9° | 106.1° |
| N23 | C22 | C13 | 135.3° | 133.9° |
| C43 | C38 | C07 | 120.5° | 120.0° |
| C43 | C38 | C39 | 119.9° | 120.0° |
| C38 | C43 | H431 | 119.5° | 120.0° |
| O29 | C28 | C34 | 110.9° | 108.7° |
| O29 | C28 | C27 | 129.5° | 131.6° |
| C35 | C34 | C28 | 120.7° | 119.9° |
| C34 | C35 | C36 | 118.5° | 120.3° |
| C34 | C35 | H351 | 120.8° | 119.9° |
| C34 | C28 | C27 | 119.6° | 119.7° |
| C35 | C36 | C37 | 120.7° | 120.3° |
| C36 | C35 | H351 | 120.8° | 119.8° |
| C35 | C36 | H361 | 119.7° | 119.8° |
| C41 | C40 | C39 | 121.5° | 120.0° |
| C41 | C40 | H401 | 119.3° | 120.0° |
| C40 | C41 | H411 | 120.4° | 120.0° |
| C28 | C27 | C37 | 120.5° | 119.8° |
| C28 | C27 | C20 | 120.1° | 120.1° |
| C22 | C21 | C20 | 120.3° | 119.5° |
| C21 | C22 | C13 | 117.7° | 120.0° |
| C21 | C20 | C27 | 114.5° | 120.1° |
| C21 | C20 | C15 | 122.1° | 119.8° |
| C01 | N02 | C03 | 125.2° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.4° | 109.4° |
| N02 | C01 | H013 | 109.4° | 109.5° |
| C01 | N02 | H021 | 117.4° | 120.0° |
| C22 | C13 | C11 | 117.9° | 120.1° |
| C22 | C13 | C14 | 121.8° | 119.9° |
| C36 | C37 | C27 | 120.1° | 120.0° |
| C37 | C36 | H361 | 119.7° | 119.9° |
| C36 | C37 | H371 | 120.0° | 120.0° |
| N09 | C08 | C07 | 108.9° | 108.7° |
| C08 | N09 | C11 | 124.4° | 120.6° |
| C08 | N09 | C10 | 111.9° | 118.7° |
| N09 | C08 | H081 | 109.6° | 109.6° |
| N09 | C08 | H082 | 109.6° | 109.6° |
| C08 | C07 | C38 | 108.4° | 109.5° |
| C08 | C07 | C06 | 111.7° | 109.3° |
| C08 | C07 | H071 | 109.1° | 109.5° |
| C07 | C08 | H081 | 109.6° | 109.6° |
| C07 | C08 | H082 | 109.6° | 109.6° |
| C37 | C27 | C20 | 119.3° | 120.2° |
| C27 | C37 | H371 | 119.9° | 120.0° |
| C27 | C20 | C15 | 123.3° | 120.1° |
| C20 | C15 | C14 | 118.0° | 120.5° |
| C20 | C15 | O16 | 116.4° | 119.8° |
| C07 | C38 | C39 | 119.6° | 120.0° |
| C38 | C07 | C06 | 109.0° | 109.5° |
| C38 | C07 | H071 | 109.0° | 109.5° |
| C38 | C39 | C40 | 119.0° | 120.0° |
| C38 | C39 | H391 | 120.5° | 120.0° |
| C11 | N09 | C10 | 123.7° | 120.6° |
| N09 | C11 | C13 | 125.8° | 120.0° |
| N09 | C11 | O12 | 118.2° | 120.0° |
| N09 | C10 | C05 | 110.1° | 108.8° |
| N09 | C10 | H101 | 109.3° | 109.6° |
| N09 | C10 | H102 | 109.3° | 109.7° |
| C11 | C13 | C14 | 120.2° | 120.1° |
| C13 | C11 | O12 | 115.9° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.3° |
| C13 | C14 | H141 | 120.0° | 119.8° |
| C40 | C39 | H391 | 120.5° | 119.9° |
| C39 | C40 | H401 | 119.2° | 120.0° |
| C10 | C05 | C06 | 113.4° | 109.3° |
| C10 | C05 | C03 | 111.6° | 109.5° |
| C05 | C10 | H101 | 109.3° | 109.6° |
| C05 | C10 | H102 | 109.3° | 109.6° |
| C10 | C05 | H051 | 106.6° | 109.5° |
| N02 | C03 | C05 | 131.0° | 120.0° |
| N02 | C03 | O04 | 113.8° | 120.0° |
| C03 | N02 | H021 | 117.4° | 120.0° |
| C07 | C06 | C05 | 112.6° | 109.5° |
| C07 | C06 | H062 | 108.7° | 109.5° |
| C07 | C06 | H061 | 108.7° | 109.5° |
| C06 | C07 | H071 | 109.6° | 109.5° |
| C14 | C15 | O16 | 125.6° | 119.8° |
| C15 | C14 | H141 | 120.0° | 119.8° |
| C15 | O16 | C17 | 118.4° | 117.0° |
| C06 | C05 | C03 | 111.1° | 109.5° |
| C06 | C05 | H051 | 107.3° | 109.5° |
| C05 | C06 | H062 | 108.7° | 109.5° |
| C05 | C06 | H061 | 108.7° | 109.5° |
| C18 | C17 | O16 | 109.2° | 109.5° |
| C18 | C17 | C19 | 111.9° | 109.5° |
| C18 | C17 | H171 | 108.6° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C05 | C03 | O04 | 115.2° | 120.1° |
| C03 | C05 | H051 | 106.3° | 109.5° |
| O16 | C17 | C19 | 108.4° | 109.5° |
| O16 | C17 | H171 | 110.2° | 109.5° |
| C19 | C17 | H171 | 108.6° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.6° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.4° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C30 | O33 | O29 | 120.7° | 118.5° |
| F32 | C30 | O33 | F31 | 122.5° | 122.9° |
| F32 | C30 | O29 | F31 | 123.3° | 123.0° |
| F32 | C30 | O33 | C34 | 118.7° | 145.6° |
| F32 | C30 | O29 | C28 | 116.5° | 145.6° |
| N26 | C25 | N23 | H251 | 180.0° | 180.0° |
| N26 | C25 | N23 | C24 | 178.0° | 179.8° |
| N26 | C25 | N23 | C22 | 0.1° | 0.2° |
| C25 | N26 | C21 | C22 | 0.8° | 0.1° |
| C25 | N26 | C21 | C20 | 178.8° | 179.6° |
| N23 | C25 | N26 | C21 | 0.4° | 0.0° |
| C25 | N23 | C24 | C22 | 177.5° | 180.0° |
| C25 | N23 | C22 | C21 | 0.6° | 0.2° |
| C25 | N23 | C22 | C13 | 178.5° | 179.9° |
| C25 | N23 | C24 | H243 | 180.0° | 96.2° |
| C25 | N23 | C24 | H241 | 60.0° | 143.8° |
| C25 | N23 | C24 | H242 | 60.0° | 23.8° |
| C43 | C42 | C41 | H421 | 180.0° | 179.3° |
| C42 | C43 | C38 | H431 | 180.0° | 179.4° |
| C43 | C42 | C41 | C40 | 0.5° | 0.3° |
| C42 | C43 | C38 | C07 | 179.7° | 179.7° |
| C42 | C43 | C38 | C39 | 0.3° | 0.6° |
| C43 | C42 | C41 | H411 | 179.5° | 179.8° |
| C41 | C42 | C43 | C38 | 0.4° | 0.6° |
| C42 | C41 | C40 | H411 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 0.5° | 0.1° |
| C42 | C41 | C40 | H401 | 179.5° | 179.9° |
| C41 | C42 | C43 | H431 | 179.6° | 180.0° |
| O33 | C30 | O29 | F31 | 118.4° | 118.5° |
| O33 | C30 | O29 | C28 | 1.8° | 27.1° |
| C30 | O33 | C34 | C35 | 178.3° | 162.6° |
| C30 | O33 | C34 | C28 | 1.3° | 17.3° |
| O29 | C30 | O33 | C34 | 2.0° | 27.1° |
| C30 | O29 | C28 | C34 | 1.0° | 17.3° |
| C30 | O29 | C28 | C27 | 179.2° | 162.7° |
| F31 | C30 | O33 | C34 | 118.8° | 91.5° |
| F31 | C30 | O29 | C28 | 120.2° | 91.4° |
| O33 | C34 | C28 | O29 | 0.2° | 0.0° |
| O33 | C34 | C35 | C28 | 179.6° | 179.9° |
| O33 | C34 | C35 | C36 | 179.4° | 179.9° |
| O33 | C34 | C28 | C27 | 179.6° | 180.0° |
| O33 | C34 | C35 | H351 | 0.6° | 0.1° |
| N26 | C21 | C22 | N23 | 0.8° | 0.2° |
| N26 | C21 | C22 | C20 | 179.6° | 179.5° |
| N26 | C21 | C22 | C13 | 178.4° | 180.0° |
| N26 | C21 | C20 | C27 | 1.0° | 0.3° |
| N26 | C21 | C20 | C15 | 178.5° | 179.6° |
| C21 | N26 | C25 | H251 | 179.6° | 180.0° |
| C24 | N23 | C22 | C21 | 178.3° | 179.8° |
| C24 | N23 | C22 | C13 | 0.7° | 0.1° |
| N23 | C24 | H243 | H241 | 120.0° | 120.0° |
| N23 | C24 | H243 | H242 | 120.0° | 120.0° |
| N23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C24 | N23 | C25 | H251 | 2.0° | 0.2° |
| N23 | C22 | C21 | C13 | 179.2° | 179.7° |
| N23 | C22 | C21 | C20 | 178.8° | 179.8° |
| N23 | C22 | C13 | C11 | 4.0° | 0.1° |
| N23 | C22 | C13 | C14 | 178.9° | 179.8° |
| C22 | N23 | C24 | H243 | 2.5° | 83.8° |
| C22 | N23 | C24 | H241 | 122.5° | 36.2° |
| C22 | N23 | C24 | H242 | 117.5° | 156.2° |
| C22 | N23 | C25 | H251 | 179.9° | 179.8° |
| C43 | C38 | C07 | C08 | 42.2° | 60.1° |
| C43 | C38 | C07 | C39 | 179.4° | 179.8° |
| C43 | C38 | C39 | C40 | 0.3° | 0.3° |
| C43 | C38 | C07 | C06 | 79.6° | 59.8° |
| C43 | C38 | C07 | H071 | 160.8° | 179.8° |
| C43 | C38 | C39 | H391 | 179.7° | 179.7° |
| C38 | C43 | C42 | H421 | 179.6° | 180.0° |
| O29 | C28 | C34 | C35 | 179.4° | 179.9° |
| O29 | C28 | C34 | C27 | 179.9° | 180.0° |
| O29 | C28 | C27 | C37 | 179.2° | 180.0° |
| O29 | C28 | C27 | C20 | 3.6° | 0.3° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C35 | C34 | C28 | C27 | 0.7° | 0.0° |
| C34 | C35 | C36 | C37 | 0.9° | 0.0° |
| C34 | C35 | C36 | H361 | 179.1° | 180.0° |
| C28 | C34 | C35 | C36 | 0.2° | 0.0° |
| C34 | C28 | C27 | C37 | 1.0° | 0.0° |
| C34 | C28 | C27 | C20 | 176.5° | 179.7° |
| C28 | C34 | C35 | H351 | 179.8° | 180.0° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | C27 | 0.6° | 0.1° |
| C35 | C36 | C37 | H371 | 179.4° | 179.7° |
| C41 | C40 | C39 | C38 | 0.4° | 0.0° |
| C41 | C40 | C39 | H401 | 180.0° | 180.0° |
| C41 | C40 | C39 | H391 | 179.6° | 180.0° |
| C40 | C41 | C42 | H421 | 179.5° | 179.7° |
| C28 | C27 | C20 | C21 | 118.5° | 90.4° |
| C28 | C27 | C37 | C36 | 0.3° | 0.1° |
| C28 | C27 | C37 | C20 | 175.6° | 179.7° |
| C28 | C27 | C20 | C15 | 59.0° | 89.8° |
| C28 | C27 | C37 | H371 | 179.7° | 179.7° |
| C22 | C21 | C20 | C27 | 179.5° | 179.7° |
| C22 | C21 | C20 | C15 | 2.0° | 0.2° |
| C21 | C22 | C13 | C11 | 177.0° | 179.8° |
| C21 | C22 | C13 | C14 | 2.1° | 0.6° |
| C20 | C21 | C22 | C13 | 1.9° | 0.5° |
| C21 | C20 | C27 | C37 | 57.2° | 89.9° |
| C21 | C20 | C27 | C15 | 177.5° | 179.9° |
| C21 | C20 | C15 | C14 | 2.1° | 0.1° |
| C21 | C20 | C15 | O16 | 178.8° | 180.0° |
| C01 | N02 | C03 | H021 | 180.0° | 179.9° |
| C01 | N02 | C03 | C05 | 0.7° | 175.0° |
| C01 | N02 | C03 | O04 | 179.2° | 5.1° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C22 | C13 | C11 | N09 | 125.4° | 116.8° |
| C22 | C13 | C11 | C14 | 175.0° | 179.7° |
| C22 | C13 | C11 | O12 | 58.1° | 63.5° |
| C22 | C13 | C14 | C15 | 2.2° | 0.3° |
| C22 | C13 | C14 | H141 | 177.8° | 179.7° |
| C36 | C37 | C27 | H371 | 180.0° | 179.8° |
| C36 | C37 | C27 | C20 | 175.9° | 179.8° |
| C37 | C36 | C35 | H351 | 179.1° | 179.9° |
| N09 | C08 | C07 | H081 | 119.9° | 119.8° |
| N09 | C08 | C07 | H082 | 120.0° | 119.8° |
| N09 | C08 | C07 | C38 | 178.1° | 174.6° |
| C08 | N09 | C11 | C10 | 178.3° | 180.0° |
| C08 | N09 | C11 | C13 | 2.2° | 176.3° |
| C08 | N09 | C11 | O12 | 178.7° | 4.0° |
| C08 | N09 | C10 | C05 | 56.2° | 53.7° |
| N09 | C08 | C07 | C06 | 58.0° | 54.7° |
| C08 | N09 | C10 | H101 | 176.3° | 66.2° |
| C08 | N09 | C10 | H102 | 63.8° | 173.5° |
| N09 | C08 | C07 | H071 | 63.4° | 65.3° |
| N09 | C08 | H081 | H082 | 120.3° | 120.3° |
| C08 | C07 | C38 | C06 | 121.8° | 119.9° |
| C08 | C07 | C38 | H071 | 118.6° | 120.1° |
| C08 | C07 | C38 | C39 | 138.4° | 120.1° |
| C07 | C08 | N09 | C11 | 121.3° | 126.4° |
| C07 | C08 | N09 | C10 | 60.2° | 53.7° |
| C08 | C07 | C06 | H071 | 121.0° | 120.0° |
| C08 | C07 | C06 | C05 | 53.2° | 61.4° |
| C08 | C07 | C06 | H062 | 67.3° | 178.6° |
| C08 | C07 | C06 | H061 | 173.7° | 58.6° |
| C07 | C08 | H081 | H082 | 120.2° | 120.4° |
| C37 | C27 | C20 | C15 | 125.4° | 89.9° |
| C27 | C37 | C36 | H361 | 179.4° | 179.9° |
| C27 | C20 | C15 | C14 | 179.3° | 180.0° |
| C27 | C20 | C15 | O16 | 1.5° | 0.1° |
| C20 | C27 | C37 | H371 | 4.1° | 0.0° |
| C20 | C15 | C14 | C13 | 2.2° | 0.0° |
| C20 | C15 | C14 | O16 | 179.0° | 179.9° |
| C20 | C15 | O16 | C17 | 176.4° | 174.3° |
| C20 | C15 | C14 | H141 | 177.9° | 179.9° |
| C07 | C38 | C39 | C40 | 179.7° | 180.0° |
| C38 | C07 | C06 | H071 | 119.2° | 120.0° |
| C38 | C07 | C06 | C05 | 173.0° | 178.7° |
| C38 | C07 | C06 | H062 | 52.5° | 58.6° |
| C38 | C07 | C06 | H061 | 66.5° | 61.3° |
| C38 | C07 | C08 | H081 | 58.1° | 65.7° |
| C38 | C07 | C08 | H082 | 62.0° | 54.8° |
| C07 | C38 | C39 | H391 | 0.3° | 0.0° |
| C07 | C38 | C43 | H431 | 0.2° | 0.2° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C39 | C38 | C07 | C06 | 99.8° | 120.0° |
| C39 | C38 | C07 | H071 | 19.8° | 0.0° |
| C38 | C39 | C40 | H401 | 179.6° | 180.0° |
| C39 | C38 | C43 | H431 | 179.6° | 180.0° |
| N09 | C11 | C13 | O12 | 176.5° | 179.7° |
| N09 | C11 | C13 | C14 | 59.6° | 62.9° |
| C11 | N09 | C10 | C05 | 125.2° | 126.4° |
| C11 | N09 | C10 | H101 | 5.2° | 113.8° |
| C11 | N09 | C10 | H102 | 114.7° | 6.5° |
| C11 | N09 | C08 | H081 | 118.7° | 6.6° |
| C11 | N09 | C08 | H082 | 1.4° | 113.8° |
| C10 | N09 | C11 | C13 | 179.4° | 3.7° |
| C10 | N09 | C11 | O12 | 3.0° | 176.0° |
| N09 | C10 | C05 | H101 | 120.1° | 119.8° |
| N09 | C10 | C05 | H102 | 120.1° | 119.9° |
| N09 | C10 | C05 | C06 | 50.2° | 54.7° |
| N09 | C10 | C05 | C03 | 176.6° | 174.6° |
| N09 | C10 | H101 | H102 | 119.7° | 120.4° |
| N09 | C10 | C05 | H051 | 67.7° | 65.3° |
| C10 | N09 | C08 | H081 | 59.8° | 173.4° |
| C10 | N09 | C08 | H082 | 179.9° | 66.1° |
| C11 | C13 | C14 | C15 | 177.0° | 180.0° |
| C11 | C13 | C14 | H141 | 3.0° | 0.1° |
| C14 | C13 | C11 | O12 | 116.9° | 116.8° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 178.8° | 179.9° |
| C39 | C40 | C41 | H411 | 179.5° | 179.9° |
| C10 | C05 | C03 | N02 | 59.9° | 56.3° |
| C10 | C05 | C06 | C07 | 49.5° | 61.4° |
| C10 | C05 | C06 | C03 | 126.7° | 120.0° |
| C10 | C05 | C06 | H051 | 117.5° | 120.0° |
| C10 | C05 | C03 | H051 | 115.9° | 120.1° |
| C10 | C05 | C03 | O04 | 120.2° | 123.6° |
| C05 | C10 | H101 | H102 | 119.7° | 120.3° |
| C10 | C05 | C06 | H062 | 70.9° | 178.6° |
| C10 | C05 | C06 | H061 | 170.0° | 58.6° |
| N02 | C03 | C05 | C06 | 67.8° | 176.2° |
| N02 | C03 | C05 | O04 | 179.9° | 179.9° |
| C03 | N02 | C01 | H011 | 180.0° | 175.1° |
| C03 | N02 | C01 | H012 | 60.0° | 55.1° |
| C03 | N02 | C01 | H013 | 60.0° | 64.9° |
| N02 | C03 | C05 | H051 | 175.8° | 63.8° |
| C07 | C06 | C05 | H062 | 120.5° | 120.0° |
| C07 | C06 | C05 | H061 | 120.5° | 120.0° |
| C07 | C06 | C05 | C03 | 176.2° | 178.7° |
| C07 | C06 | C05 | H051 | 67.9° | 58.6° |
| C07 | C06 | H062 | H061 | 118.5° | 120.0° |
| C06 | C07 | C08 | H081 | 62.0° | 174.4° |
| C06 | C07 | C08 | H082 | 177.9° | 65.1° |
| C14 | C15 | O16 | C17 | 4.6° | 5.8° |
| C15 | O16 | C17 | C18 | 75.0° | 84.9° |
| C15 | O16 | C17 | C19 | 162.9° | 155.1° |
| O16 | C15 | C14 | H141 | 1.2° | 0.0° |
| C15 | O16 | C17 | H171 | 44.2° | 35.1° |
| C06 | C05 | C03 | H051 | 116.4° | 120.1° |
| C06 | C05 | C03 | O04 | 112.2° | 3.7° |
| C06 | C05 | C10 | H101 | 170.3° | 65.2° |
| C06 | C05 | C10 | H102 | 69.9° | 174.5° |
| C05 | C06 | H062 | H061 | 118.6° | 120.0° |
| C05 | C06 | C07 | H071 | 67.8° | 58.6° |
| C18 | C17 | O16 | C19 | 122.1° | 120.0° |
| C18 | C17 | O16 | H171 | 119.2° | 120.0° |
| C18 | C17 | C19 | H171 | 119.8° | 119.9° |
| C18 | C17 | C19 | H192 | 180.0° | 55.0° |
| C18 | C17 | C19 | H193 | 60.0° | 175.0° |
| C18 | C17 | C19 | H191 | 60.0° | 65.0° |
| C17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C03 | C05 | C10 | H101 | 63.3° | 54.8° |
| C03 | C05 | C10 | H102 | 56.5° | 65.5° |
| C05 | C03 | N02 | H021 | 179.3° | 4.9° |
| C03 | C05 | C06 | H062 | 55.8° | 58.6° |
| C03 | C05 | C06 | H061 | 63.3° | 61.3° |
| O16 | C17 | C19 | H171 | 119.7° | 120.1° |
| O16 | C17 | C19 | H192 | 59.5° | 175.0° |
| O16 | C17 | C19 | H193 | 179.5° | 65.0° |
| O16 | C17 | C19 | H191 | 60.5° | 55.0° |
| O16 | C17 | C18 | H183 | 180.0° | 60.0° |
| O16 | C17 | C18 | H181 | 60.0° | 180.0° |
| O16 | C17 | C18 | H182 | 60.0° | 60.0° |
| O04 | C03 | N02 | H021 | 0.8° | 175.0° |
| O04 | C03 | C05 | H051 | 4.3° | 116.3° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H191 | 120.0° | 120.0° |
| C17 | C19 | H193 | H191 | 120.0° | 120.0° |
| C19 | C17 | C18 | H183 | 60.0° | 180.0° |
| C19 | C17 | C18 | H181 | 180.0° | 60.0° |
| C19 | C17 | C18 | H182 | 60.0° | 60.0° |
| H171 | C17 | C19 | H192 | 60.2° | 65.0° |
| H171 | C17 | C19 | H193 | 59.8° | 55.1° |
| H171 | C17 | C19 | H191 | 179.8° | 175.1° |
| H171 | C17 | C18 | H183 | 59.8° | 60.1° |
| H171 | C17 | C18 | H181 | 60.2° | 59.9° |
| H171 | C17 | C18 | H182 | 179.8° | 179.9° |
| H192 | C19 | H193 | H191 | 120.0° | 120.0° |
| H101 | C10 | C05 | H051 | 52.4° | 174.9° |
| H102 | C10 | C05 | H051 | 172.2° | 54.6° |
| H183 | C18 | H181 | H182 | 120.0° | 120.0° |
| H243 | C24 | H241 | H242 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H011 | C01 | N02 | H021 | 0.0° | 5.0° |
| H012 | C01 | N02 | H021 | 120.0° | 125.0° |
| H013 | C01 | N02 | H021 | 120.0° | 115.0° |
| H051 | C05 | C06 | H062 | 171.6° | 61.4° |
| H051 | C05 | C06 | H061 | 52.5° | 178.6° |
| H062 | C06 | C07 | H071 | 171.7° | 61.4° |
| H061 | C06 | C07 | H071 | 52.7° | 178.6° |
| H071 | C07 | C08 | H081 | 176.7° | 54.4° |
| H071 | C07 | C08 | H082 | 56.5° | 174.9° |
| H351 | C35 | C36 | H361 | 0.9° | 0.0° |
| H361 | C36 | C37 | H371 | 0.6° | 0.3° |
| H391 | C39 | C40 | H401 | 0.4° | 0.0° |
| H401 | C40 | C41 | H411 | 0.5° | 0.1° |
| H411 | C41 | C42 | H421 | 0.5° | 0.4° |
| H421 | C42 | C43 | H431 | 0.5° | 0.6° |
