A1C4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C26 | sing | 1.40Å | 1.36Å | |
| O29 | C26 | sing | 1.44Å | 1.41Å | |
| O29 | C30 | sing | 1.37Å | 1.41Å | |
| C26 | O25 | sing | 1.44Å | 1.40Å | |
| C26 | F28 | sing | 1.40Å | 1.37Å | |
| C30 | C31 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| O25 | C24 | sing | 1.36Å | 1.41Å | |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C39 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C20 | sing | 1.48Å | 1.52Å | |
| C20 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | N09 | sing | 1.47Å | 1.48Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.48Å | 1.54Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| N09 | C11 | sing | 1.35Å | 1.43Å | |
| N09 | C10 | sing | 1.47Å | 1.50Å | |
| C01 | N02 | sing | 1.46Å | 1.46Å | |
| C11 | O12 | doub | 1.22Å | 1.17Å | |
| C10 | C05 | sing | 1.53Å | 1.54Å | |
| C34 | C07 | sing | 1.51Å | 1.55Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.39Å | |
| C07 | C06 | sing | 1.53Å | 1.49Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.49Å | |
| O16 | C17 | sing | 1.43Å | 1.42Å | |
| N02 | C03 | sing | 1.35Å | 1.48Å | |
| C05 | C03 | sing | 1.51Å | 1.59Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | 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 | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C26 | O29 | 106.8° | 110.7° |
| F27 | C26 | O25 | 107.8° | 110.6° |
| F27 | C26 | F28 | 113.2° | 110.5° |
| C26 | O29 | C30 | 105.3° | 105.5° |
| O29 | C26 | O25 | 110.9° | 103.7° |
| O29 | C26 | F28 | 110.8° | 110.6° |
| O29 | C30 | C31 | 130.9° | 131.4° |
| O29 | C30 | C24 | 109.0° | 108.6° |
| O25 | C26 | F28 | 107.5° | 110.6° |
| C26 | O25 | C24 | 105.3° | 105.5° |
| C31 | C30 | C24 | 120.1° | 119.9° |
| C30 | C31 | C32 | 119.2° | 120.3° |
| C30 | C31 | H311 | 120.4° | 119.9° |
| C30 | C24 | O25 | 109.6° | 108.7° |
| C30 | C24 | C23 | 120.3° | 119.7° |
| O25 | C24 | C23 | 130.1° | 131.5° |
| C31 | C32 | C33 | 120.4° | 120.3° |
| C32 | C31 | H311 | 120.4° | 119.8° |
| C31 | C32 | H321 | 119.8° | 119.9° |
| C39 | C38 | C37 | 119.3° | 120.0° |
| C38 | C39 | C34 | 120.9° | 120.0° |
| C39 | C38 | H381 | 120.4° | 120.0° |
| C38 | C39 | H391 | 119.6° | 120.0° |
| C38 | C37 | C36 | 119.5° | 120.0° |
| C38 | C37 | H371 | 120.3° | 120.0° |
| C37 | C38 | H381 | 120.3° | 120.0° |
| C22 | C21 | C20 | 121.2° | 120.1° |
| C21 | C22 | C13 | 120.0° | 120.1° |
| C22 | C21 | H211 | 119.4° | 120.0° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| C21 | C20 | C23 | 117.2° | 120.0° |
| C21 | C20 | C15 | 119.4° | 120.0° |
| C20 | C21 | H211 | 119.4° | 119.9° |
| C24 | C23 | C33 | 119.7° | 119.8° |
| C24 | C23 | C20 | 120.5° | 120.2° |
| C22 | C13 | C11 | 119.7° | 120.0° |
| C22 | C13 | C14 | 118.7° | 120.0° |
| C13 | C22 | H221 | 120.0° | 119.9° |
| C39 | C34 | C07 | 120.0° | 120.0° |
| C39 | C34 | C35 | 120.1° | 120.0° |
| C34 | C39 | H391 | 119.6° | 120.0° |
| C32 | C33 | C23 | 120.2° | 120.0° |
| C33 | C32 | H321 | 119.8° | 119.8° |
| C32 | C33 | H331 | 119.9° | 120.0° |
| C33 | C23 | C20 | 119.7° | 120.1° |
| C23 | C33 | H331 | 119.9° | 120.1° |
| C23 | C20 | C15 | 123.3° | 120.0° |
| C20 | C15 | C14 | 119.4° | 119.9° |
| C20 | C15 | O16 | 116.9° | 120.1° |
| N09 | C08 | C07 | 109.2° | 108.8° |
| C08 | N09 | C11 | 125.4° | 120.6° |
| C08 | N09 | C10 | 110.7° | 118.8° |
| N09 | C08 | H081 | 109.5° | 109.6° |
| N09 | C08 | H082 | 109.6° | 109.6° |
| C08 | C07 | C34 | 110.1° | 109.5° |
| C08 | C07 | C06 | 110.6° | 109.3° |
| C08 | C07 | H071 | 109.0° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.6° |
| C07 | C08 | H082 | 109.5° | 109.6° |
| C37 | C36 | C35 | 121.2° | 120.0° |
| C37 | C36 | H361 | 119.4° | 119.9° |
| C36 | C37 | H371 | 120.3° | 120.0° |
| C11 | C13 | C14 | 121.5° | 120.0° |
| C13 | C11 | N09 | 124.1° | 120.0° |
| C13 | C11 | O12 | 120.6° | 119.9° |
| C13 | C14 | C15 | 121.1° | 119.9° |
| C13 | C14 | H141 | 119.4° | 120.0° |
| C11 | N09 | C10 | 123.9° | 120.6° |
| N09 | C11 | O12 | 115.4° | 120.1° |
| N09 | C10 | C05 | 109.4° | 108.7° |
| N09 | C10 | H101 | 109.5° | 109.6° |
| N09 | C10 | H102 | 109.5° | 109.6° |
| C01 | N02 | C03 | 126.9° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.4° | 109.4° |
| C01 | N02 | H021 | 116.6° | 120.0° |
| C10 | C05 | C06 | 109.8° | 109.3° |
| C10 | C05 | C03 | 109.6° | 109.5° |
| C10 | C05 | H051 | 106.7° | 109.5° |
| C05 | C10 | H101 | 109.5° | 109.5° |
| C05 | C10 | H102 | 109.5° | 109.6° |
| C07 | C34 | C35 | 119.9° | 120.0° |
| C34 | C07 | C06 | 108.7° | 109.5° |
| C34 | C07 | H071 | 108.9° | 109.5° |
| C34 | C35 | C36 | 119.0° | 120.0° |
| C34 | C35 | H351 | 120.5° | 120.0° |
| C14 | C15 | O16 | 123.7° | 120.0° |
| C15 | C14 | H141 | 119.4° | 120.0° |
| C15 | O16 | C17 | 117.7° | 117.0° |
| C07 | C06 | C05 | 112.1° | 109.5° |
| C07 | C06 | H062 | 108.8° | 109.5° |
| C07 | C06 | H061 | 108.8° | 109.5° |
| C06 | C07 | H071 | 109.6° | 109.5° |
| C18 | C17 | O16 | 109.5° | 109.5° |
| C18 | C17 | C19 | 112.4° | 109.5° |
| C18 | C17 | H171 | 108.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C36 | C35 | H351 | 120.5° | 120.0° |
| C35 | C36 | H361 | 119.4° | 120.0° |
| C06 | C05 | C03 | 116.8° | 109.5° |
| C06 | C05 | H051 | 107.2° | 109.5° |
| C05 | C06 | H062 | 108.8° | 109.4° |
| C05 | C06 | H061 | 108.8° | 109.5° |
| O16 | C17 | C19 | 107.7° | 109.5° |
| O16 | C17 | H171 | 110.1° | 109.5° |
| N02 | C03 | C05 | 130.4° | 120.0° |
| N02 | C03 | O04 | 114.7° | 120.0° |
| C03 | N02 | H021 | 116.5° | 120.0° |
| C05 | C03 | O04 | 114.9° | 120.0° |
| C03 | C05 | H051 | 106.1° | 109.5° |
| C19 | C17 | H171 | 108.6° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.7° |
| H101 | C10 | H102 | 109.5° | 109.7° |
| H183 | C18 | H181 | 109.4° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C26 | O29 | O25 | 117.2° | 118.6° |
| F27 | C26 | O29 | F28 | 123.6° | 122.8° |
| F27 | C26 | O29 | C30 | 117.9° | 145.7° |
| F27 | C26 | O25 | F28 | 122.3° | 122.7° |
| F27 | C26 | O25 | C24 | 117.9° | 145.8° |
| O29 | C26 | O25 | F28 | 121.2° | 118.6° |
| C26 | O29 | C30 | C31 | 180.0° | 162.7° |
| C26 | O29 | C30 | C24 | 0.3° | 17.3° |
| O29 | C26 | O25 | C24 | 1.4° | 27.1° |
| C30 | O29 | C26 | O25 | 0.7° | 27.1° |
| C30 | O29 | C26 | F28 | 118.5° | 91.5° |
| O29 | C30 | C31 | C24 | 179.6° | 180.0° |
| O29 | C30 | C24 | O25 | 1.2° | 0.0° |
| O29 | C30 | C31 | C32 | 179.6° | 180.0° |
| O29 | C30 | C24 | C23 | 179.8° | 180.0° |
| O29 | C30 | C31 | H311 | 0.5° | 0.0° |
| C26 | O25 | C24 | C30 | 1.6° | 17.3° |
| C26 | O25 | C24 | C23 | 179.5° | 162.7° |
| F28 | C26 | O25 | C24 | 119.8° | 91.5° |
| C31 | C30 | C24 | O25 | 179.1° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C24 | C23 | 0.1° | 0.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | H321 | 179.9° | 180.0° |
| C30 | C24 | O25 | C23 | 178.9° | 180.0° |
| C24 | C30 | C31 | C32 | 0.0° | 0.0° |
| C30 | C24 | C23 | C33 | 0.2° | 0.0° |
| C30 | C24 | C23 | C20 | 177.7° | 179.7° |
| C24 | C30 | C31 | H311 | 179.9° | 180.0° |
| O25 | C24 | C23 | C33 | 179.0° | 180.0° |
| O25 | C24 | C23 | C20 | 1.1° | 0.3° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C23 | 0.1° | 0.0° |
| C31 | C32 | C33 | H331 | 180.0° | 179.8° |
| C39 | C38 | C37 | H381 | 180.0° | 179.3° |
| C38 | C39 | C34 | H391 | 180.0° | 179.4° |
| C39 | C38 | C37 | C36 | 0.7° | 0.3° |
| C38 | C39 | C34 | C07 | 179.3° | 179.7° |
| C38 | C39 | C34 | C35 | 0.0° | 0.6° |
| C39 | C38 | C37 | H371 | 179.3° | 179.7° |
| C37 | C38 | C39 | C34 | 0.3° | 0.7° |
| C38 | C37 | C36 | H371 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.8° | 0.0° |
| C38 | C37 | C36 | H361 | 179.3° | 179.9° |
| C37 | C38 | C39 | H391 | 179.7° | 180.0° |
| C22 | C21 | C20 | H211 | 180.0° | 179.5° |
| C21 | C22 | C13 | H221 | 180.0° | 179.5° |
| C22 | C21 | C20 | C23 | 179.8° | 179.7° |
| C22 | C21 | C20 | C15 | 1.8° | 0.2° |
| C21 | C22 | C13 | C11 | 179.4° | 179.8° |
| C21 | C22 | C13 | C14 | 1.9° | 0.6° |
| C21 | C20 | C23 | C24 | 123.6° | 114.7° |
| C20 | C21 | C22 | C13 | 2.2° | 0.5° |
| C21 | C20 | C23 | C33 | 54.3° | 65.0° |
| C21 | C20 | C23 | C15 | 177.9° | 180.0° |
| C21 | C20 | C15 | C14 | 1.1° | 0.0° |
| C21 | C20 | C15 | O16 | 178.8° | 180.0° |
| C20 | C21 | C22 | H221 | 177.8° | 180.0° |
| C24 | C23 | C33 | C32 | 0.1° | 0.0° |
| C24 | C23 | C33 | C20 | 177.9° | 179.7° |
| C24 | C23 | C20 | C15 | 54.4° | 65.3° |
| C24 | C23 | C33 | H331 | 179.9° | 179.8° |
| C22 | C13 | C11 | C14 | 177.4° | 179.7° |
| C22 | C13 | C11 | N09 | 128.9° | 45.7° |
| C22 | C13 | C11 | O12 | 52.7° | 134.3° |
| C22 | C13 | C14 | C15 | 1.2° | 0.3° |
| C22 | C13 | C14 | H141 | 178.8° | 179.8° |
| C13 | C22 | C21 | H211 | 177.8° | 180.0° |
| C39 | C34 | C07 | C08 | 41.0° | 60.1° |
| C39 | C34 | C07 | C35 | 179.3° | 179.7° |
| C39 | C34 | C07 | C06 | 80.2° | 59.7° |
| C39 | C34 | C35 | C36 | 0.0° | 0.3° |
| C39 | C34 | C07 | H071 | 160.5° | 179.8° |
| C39 | C34 | C35 | H351 | 179.9° | 179.7° |
| C34 | C39 | C38 | H381 | 179.7° | 180.0° |
| C32 | C33 | C23 | H331 | 180.0° | 179.8° |
| C32 | C33 | C23 | C20 | 177.8° | 179.7° |
| C33 | C32 | C31 | H311 | 179.9° | 180.0° |
| C33 | C23 | C20 | C15 | 127.8° | 115.0° |
| C23 | C33 | C32 | H321 | 179.9° | 180.0° |
| C23 | C20 | C15 | C14 | 178.9° | 180.0° |
| C23 | C20 | C15 | O16 | 0.9° | 0.0° |
| C23 | C20 | C21 | H211 | 0.2° | 0.3° |
| C20 | C23 | C33 | H331 | 2.2° | 0.0° |
| C20 | C15 | C14 | C13 | 0.8° | 0.0° |
| C20 | C15 | C14 | O16 | 179.9° | 180.0° |
| C20 | C15 | O16 | C17 | 169.0° | 177.2° |
| C20 | C15 | C14 | H141 | 179.2° | 180.0° |
| C15 | C20 | C21 | H211 | 178.2° | 179.7° |
| N09 | C08 | C07 | H081 | 119.9° | 119.8° |
| N09 | C08 | C07 | H082 | 120.0° | 119.8° |
| C08 | N09 | C11 | C13 | 0.9° | 4.2° |
| C08 | N09 | C11 | C10 | 179.6° | 180.0° |
| C08 | N09 | C11 | O12 | 179.5° | 175.7° |
| C08 | N09 | C10 | C05 | 60.3° | 53.6° |
| N09 | C08 | C07 | C34 | 177.3° | 174.6° |
| N09 | C08 | C07 | C06 | 57.2° | 54.6° |
| N09 | C08 | C07 | H071 | 63.4° | 65.3° |
| N09 | C08 | H081 | H082 | 120.1° | 120.4° |
| C08 | N09 | C10 | H101 | 179.7° | 66.1° |
| C08 | N09 | C10 | H102 | 59.7° | 173.4° |
| C07 | C08 | N09 | C11 | 120.4° | 126.4° |
| C07 | C08 | N09 | C10 | 59.9° | 53.6° |
| C08 | C07 | C34 | C06 | 121.2° | 119.8° |
| C08 | C07 | C34 | H071 | 119.4° | 120.1° |
| C08 | C07 | C34 | C35 | 139.6° | 120.1° |
| C08 | C07 | C06 | H071 | 120.2° | 119.9° |
| C08 | C07 | C06 | C05 | 56.3° | 61.4° |
| C08 | C07 | C06 | H062 | 64.1° | 178.6° |
| C08 | C07 | C06 | H061 | 176.7° | 58.6° |
| C07 | C08 | H081 | H082 | 120.1° | 120.4° |
| C37 | C36 | C35 | C34 | 0.4° | 0.0° |
| C37 | C36 | C35 | H361 | 180.0° | 179.9° |
| C37 | C36 | C35 | H351 | 179.6° | 180.0° |
| C36 | C37 | C38 | H381 | 179.3° | 179.7° |
| C13 | C11 | N09 | O12 | 178.5° | 180.0° |
| C13 | C11 | N09 | C10 | 179.5° | 175.8° |
| C11 | C13 | C14 | C15 | 178.6° | 180.0° |
| C11 | C13 | C14 | H141 | 1.3° | 0.1° |
| C11 | C13 | C22 | H221 | 0.6° | 0.3° |
| C14 | C13 | C11 | N09 | 53.7° | 134.0° |
| C14 | C13 | C11 | O12 | 124.7° | 46.1° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | O16 | 179.1° | 180.0° |
| C14 | C13 | C22 | H221 | 178.1° | 180.0° |
| C11 | N09 | C10 | C05 | 120.0° | 126.5° |
| C11 | N09 | C08 | H081 | 119.6° | 6.6° |
| C11 | N09 | C08 | H082 | 0.5° | 113.8° |
| C11 | N09 | C10 | H101 | 0.1° | 113.9° |
| C11 | N09 | C10 | H102 | 120.0° | 6.6° |
| C10 | N09 | C11 | O12 | 0.9° | 4.2° |
| N09 | C10 | C05 | H101 | 120.0° | 119.8° |
| N09 | C10 | C05 | H102 | 120.0° | 119.8° |
| N09 | C10 | C05 | C06 | 57.3° | 54.6° |
| N09 | C10 | C05 | C03 | 173.1° | 174.5° |
| N09 | C10 | C05 | H051 | 58.6° | 65.4° |
| C10 | N09 | C08 | H081 | 60.0° | 173.4° |
| C10 | N09 | C08 | H082 | 179.9° | 66.2° |
| N09 | C10 | H101 | H102 | 120.0° | 120.4° |
| C01 | N02 | C03 | H021 | 180.0° | 179.9° |
| C01 | N02 | C03 | C05 | 0.1° | 180.0° |
| C01 | N02 | C03 | O04 | 179.5° | 0.1° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C10 | C05 | C06 | C07 | 56.2° | 61.4° |
| C10 | C05 | C06 | C03 | 125.6° | 120.0° |
| C10 | C05 | C06 | H051 | 115.5° | 120.0° |
| C10 | C05 | C03 | N02 | 85.3° | 60.0° |
| C10 | C05 | C03 | H051 | 114.8° | 120.1° |
| C10 | C05 | C03 | O04 | 94.0° | 119.9° |
| C10 | C05 | C06 | H062 | 64.2° | 178.6° |
| C10 | C05 | C06 | H061 | 176.6° | 58.7° |
| C05 | C10 | H101 | H102 | 120.1° | 120.4° |
| C34 | C07 | C06 | H071 | 118.9° | 120.1° |
| C07 | C34 | C35 | C36 | 179.4° | 180.0° |
| C34 | C07 | C06 | C05 | 177.3° | 178.7° |
| C34 | C07 | C06 | H062 | 56.9° | 58.7° |
| C34 | C07 | C06 | H061 | 62.4° | 61.3° |
| C34 | C07 | C08 | H081 | 57.4° | 65.6° |
| C34 | C07 | C08 | H082 | 62.7° | 54.8° |
| C07 | C34 | C35 | H351 | 0.6° | 0.0° |
| C07 | C34 | C39 | H391 | 0.7° | 0.3° |
| C35 | C34 | C07 | C06 | 99.2° | 120.0° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C35 | C34 | C07 | H071 | 20.2° | 0.0° |
| C34 | C35 | C36 | H361 | 179.6° | 179.9° |
| C35 | C34 | C39 | H391 | 180.0° | 180.0° |
| C14 | C15 | O16 | C17 | 10.8° | 2.8° |
| C15 | O16 | C17 | C18 | 79.9° | 82.8° |
| C15 | O16 | C17 | C19 | 157.6° | 157.2° |
| O16 | C15 | C14 | H141 | 1.0° | 0.1° |
| C15 | O16 | C17 | H171 | 39.4° | 37.1° |
| C07 | C06 | C05 | H062 | 120.4° | 120.0° |
| C07 | C06 | C05 | H061 | 120.4° | 120.0° |
| C07 | C06 | C05 | C03 | 178.2° | 178.7° |
| C07 | C06 | C05 | H051 | 59.3° | 58.6° |
| C07 | C06 | H062 | H061 | 118.9° | 120.0° |
| C06 | C07 | C08 | H081 | 62.8° | 174.4° |
| C06 | C07 | C08 | H082 | 177.2° | 65.2° |
| C18 | C17 | O16 | C19 | 122.5° | 120.0° |
| C18 | C17 | O16 | H171 | 119.2° | 120.0° |
| C18 | C17 | C19 | H171 | 120.0° | 120.0° |
| C17 | C18 | H183 | H181 | 119.9° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.1° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 180.0° | 180.0° |
| C18 | C17 | C19 | H192 | 60.0° | 60.0° |
| C18 | C17 | C19 | H193 | 60.0° | 60.0° |
| C35 | C36 | C37 | H371 | 179.3° | 179.9° |
| C06 | C05 | C03 | N02 | 40.4° | 179.9° |
| C06 | C05 | C03 | H051 | 119.4° | 120.1° |
| C06 | C05 | C03 | O04 | 140.2° | 0.1° |
| C05 | C06 | H062 | H061 | 118.8° | 120.0° |
| C05 | C06 | C07 | H071 | 63.9° | 58.6° |
| C06 | C05 | C10 | H101 | 177.3° | 65.2° |
| C06 | C05 | C10 | H102 | 62.7° | 174.4° |
| O16 | C17 | C19 | H171 | 119.2° | 120.0° |
| O16 | C17 | C18 | H183 | 180.0° | 60.0° |
| O16 | C17 | C18 | H181 | 60.0° | 180.0° |
| O16 | C17 | C18 | H182 | 60.0° | 60.0° |
| O16 | C17 | C19 | H191 | 59.2° | 60.0° |
| O16 | C17 | C19 | H192 | 179.2° | 180.0° |
| O16 | C17 | C19 | H193 | 60.8° | 60.1° |
| N02 | C03 | C05 | O04 | 179.3° | 180.0° |
| C03 | N02 | C01 | H011 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 180.0° |
| C03 | N02 | C01 | H013 | 60.0° | 60.1° |
| N02 | C03 | C05 | H051 | 159.8° | 60.0° |
| C05 | C03 | N02 | H021 | 179.9° | 0.1° |
| C03 | C05 | C06 | H062 | 61.5° | 58.7° |
| C03 | C05 | C06 | H061 | 57.8° | 61.3° |
| C03 | C05 | C10 | H101 | 53.1° | 54.8° |
| C03 | C05 | C10 | H102 | 66.9° | 65.6° |
| O04 | C03 | N02 | H021 | 0.5° | 180.0° |
| O04 | C03 | C05 | H051 | 20.8° | 120.0° |
| C19 | C17 | C18 | H183 | 60.3° | 60.0° |
| C19 | C17 | C18 | H181 | 179.7° | 60.0° |
| C19 | C17 | C18 | H182 | 59.7° | 180.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | N02 | H021 | 0.0° | 119.9° |
| H012 | C01 | N02 | H021 | 120.0° | 0.1° |
| H013 | C01 | N02 | H021 | 120.0° | 120.0° |
| H051 | C05 | C06 | H062 | 179.7° | 61.4° |
| H051 | C05 | C06 | H061 | 61.1° | 178.6° |
| H051 | C05 | C10 | H101 | 61.4° | 174.8° |
| H051 | C05 | C10 | H102 | 178.6° | 54.4° |
| H062 | C06 | C07 | H071 | 175.8° | 61.4° |
| H061 | C06 | C07 | H071 | 56.5° | 178.6° |
| H071 | C07 | C08 | H081 | 176.7° | 54.5° |
| H071 | C07 | C08 | H082 | 56.6° | 174.9° |
| H171 | C17 | C18 | H183 | 59.7° | 180.0° |
| H171 | C17 | C18 | H181 | 60.2° | 60.0° |
| H171 | C17 | C18 | H182 | 179.8° | 60.0° |
| H171 | C17 | C19 | H191 | 60.0° | 60.0° |
| H171 | C17 | C19 | H192 | 60.0° | 60.0° |
| H171 | C17 | C19 | H193 | 180.0° | 179.9° |
| H183 | C18 | H181 | H182 | 120.0° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 2.2° | 0.5° |
| H311 | C31 | C32 | H321 | 0.1° | 0.0° |
| H321 | C32 | C33 | H331 | 0.1° | 0.3° |
| H351 | C35 | C36 | H361 | 0.4° | 0.0° |
| H361 | C36 | C37 | H371 | 0.7° | 0.0° |
| H371 | C37 | C38 | H381 | 0.7° | 0.4° |
| H381 | C38 | C39 | H391 | 0.3° | 0.6° |
