KHY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| F42 | C40 | sing | 1.40Å | 1.34Å | |
| O02 | C03 | sing | 1.36Å | 1.42Å | |
| N04 | C03 | doub | 1.32Å | 1.38Å | Aromatic |
| N04 | C05 | sing | 1.34Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.46Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.37Å | Aromatic |
| N37 | C36 | doub | 1.32Å | 1.35Å | Aromatic |
| N37 | C38 | sing | 1.32Å | 1.35Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| F41 | C40 | sing | 1.40Å | 1.37Å | |
| C03 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C38 | sing | 1.51Å | 1.53Å | |
| C40 | F43 | sing | 1.40Å | 1.37Å | |
| C05 | C10 | doub | 1.42Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | N15 | sing | 1.47Å | 1.41Å | |
| F23 | C21 | sing | 1.40Å | 1.38Å | |
| C39 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.44Å | |
| C34 | C25 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | C11 | doub | 1.37Å | 1.43Å | Aromatic |
| F24 | C21 | sing | 1.40Å | 1.36Å | |
| C10 | C11 | sing | 1.41Å | 1.46Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.44Å | Aromatic |
| C08 | C09 | doub | 1.36Å | 1.40Å | Aromatic |
| C08 | C25 | sing | 1.51Å | 1.54Å | |
| C21 | C18 | sing | 1.53Å | 1.54Å | |
| C21 | F22 | sing | 1.40Å | 1.32Å | |
| C14 | N15 | sing | 1.47Å | 1.25Å | |
| C11 | CL12 | sing | 1.74Å | 1.74Å | |
| N15 | C16 | sing | 1.47Å | 1.43Å | |
| C25 | C27 | sing | 1.51Å | 1.48Å | |
| C25 | O26 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | sing | 1.53Å | 1.42Å | |
| C28 | C27 | doub | 1.35Å | 1.37Å | Aromatic |
| C28 | N29 | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | N32 | sing | 1.37Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N29 | C30 | doub | 1.30Å | 1.34Å | Aromatic |
| N32 | C30 | sing | 1.35Å | 1.31Å | Aromatic |
| N32 | C33 | sing | 1.46Å | 1.44Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.1° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| F42 | C40 | F41 | 109.4° | 109.5° |
| F42 | C40 | C38 | 109.5° | 109.5° |
| F42 | C40 | F43 | 109.9° | 109.5° |
| O02 | C03 | N04 | 119.4° | 119.2° |
| O02 | C03 | C13 | 118.8° | 119.2° |
| C03 | N04 | C05 | 120.4° | 121.3° |
| N04 | C03 | C13 | 121.8° | 121.6° |
| N04 | C05 | C06 | 118.4° | 121.0° |
| N04 | C05 | C10 | 120.8° | 119.9° |
| C05 | C06 | C07 | 119.5° | 119.8° |
| C06 | C05 | C10 | 120.8° | 119.1° |
| C05 | C06 | H061 | 120.3° | 120.1° |
| C06 | C07 | C08 | 120.1° | 121.0° |
| C07 | C06 | H061 | 120.2° | 120.1° |
| C06 | C07 | H071 | 119.9° | 119.5° |
| C36 | N37 | C38 | 120.1° | 121.7° |
| N37 | C36 | C35 | 121.8° | 120.8° |
| N37 | C36 | H361 | 119.1° | 119.6° |
| N37 | C38 | C40 | 119.6° | 119.6° |
| N37 | C38 | C39 | 121.1° | 120.8° |
| C36 | C35 | C34 | 118.6° | 119.1° |
| C36 | C35 | H351 | 120.7° | 120.4° |
| C35 | C36 | H361 | 119.1° | 119.6° |
| F41 | C40 | C38 | 109.3° | 109.5° |
| F41 | C40 | F43 | 108.7° | 109.5° |
| C03 | C13 | C14 | 119.8° | 120.1° |
| C03 | C13 | C11 | 118.5° | 119.9° |
| C38 | C40 | F43 | 110.0° | 109.4° |
| C40 | C38 | C39 | 119.3° | 119.6° |
| C05 | C10 | C11 | 119.6° | 119.1° |
| C05 | C10 | C09 | 119.8° | 119.7° |
| C07 | C08 | C09 | 120.3° | 120.9° |
| C07 | C08 | C25 | 119.0° | 119.6° |
| C08 | C07 | H071 | 120.0° | 119.5° |
| C38 | C39 | C34 | 119.3° | 119.1° |
| C38 | C39 | H391 | 120.4° | 120.4° |
| C35 | C34 | C39 | 119.1° | 118.4° |
| C35 | C34 | C25 | 121.6° | 120.8° |
| C34 | C35 | H351 | 120.7° | 120.5° |
| C19 | C20 | N15 | 111.9° | 109.6° |
| C20 | C19 | C18 | 116.0° | 109.3° |
| C19 | C20 | H202 | 108.9° | 109.5° |
| C19 | C20 | H201 | 108.9° | 109.5° |
| C20 | C19 | H191 | 107.8° | 109.5° |
| C20 | C19 | H192 | 107.8° | 109.5° |
| C20 | N15 | C14 | 114.6° | 111.0° |
| C20 | N15 | C16 | 107.3° | 111.1° |
| N15 | C20 | H202 | 108.8° | 109.4° |
| N15 | C20 | H201 | 108.8° | 109.5° |
| F23 | C21 | F24 | 109.1° | 109.5° |
| F23 | C21 | C18 | 111.2° | 109.5° |
| F23 | C21 | F22 | 108.9° | 109.5° |
| C39 | C34 | C25 | 119.2° | 120.8° |
| C34 | C39 | H391 | 120.3° | 120.5° |
| C19 | C18 | C21 | 109.6° | 109.5° |
| C19 | C18 | C17 | 117.7° | 109.2° |
| C19 | C18 | H181 | 106.4° | 109.6° |
| C18 | C19 | H191 | 107.8° | 109.5° |
| C18 | C19 | H192 | 107.8° | 109.5° |
| C34 | C25 | C08 | 105.3° | 109.4° |
| C34 | C25 | C27 | 113.0° | 109.5° |
| C34 | C25 | O26 | 109.4° | 109.5° |
| C14 | C13 | C11 | 121.8° | 120.1° |
| C13 | C14 | N15 | 113.9° | 109.5° |
| C13 | C14 | H142 | 108.3° | 109.5° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C13 | C11 | C10 | 118.9° | 118.2° |
| C13 | C11 | CL12 | 120.5° | 120.9° |
| F24 | C21 | C18 | 108.9° | 109.4° |
| F24 | C21 | F22 | 109.4° | 109.5° |
| C11 | C10 | C09 | 120.6° | 121.2° |
| C10 | C11 | CL12 | 120.5° | 120.9° |
| C10 | C09 | C08 | 119.5° | 119.6° |
| C10 | C09 | H091 | 120.3° | 120.2° |
| C09 | C08 | C25 | 120.7° | 119.6° |
| C08 | C09 | H091 | 120.3° | 120.2° |
| C08 | C25 | C27 | 110.1° | 109.5° |
| C08 | C25 | O26 | 109.1° | 109.4° |
| C18 | C21 | F22 | 109.3° | 109.5° |
| C21 | C18 | C17 | 110.3° | 109.5° |
| C21 | C18 | H181 | 105.3° | 109.5° |
| C14 | N15 | C16 | 109.0° | 111.0° |
| N15 | C14 | H142 | 108.4° | 109.5° |
| N15 | C14 | H141 | 108.4° | 109.5° |
| N15 | C16 | C17 | 115.4° | 109.5° |
| N15 | C16 | H162 | 107.9° | 109.5° |
| N15 | C16 | H161 | 108.0° | 109.5° |
| C27 | C25 | O26 | 109.8° | 109.5° |
| C25 | C27 | C28 | 126.0° | 126.6° |
| C25 | C27 | N32 | 127.3° | 126.5° |
| C25 | O26 | H261 | 109.5° | 114.0° |
| C18 | C17 | C16 | 117.2° | 109.3° |
| C18 | C17 | H171 | 107.5° | 109.5° |
| C18 | C17 | H172 | 107.5° | 109.5° |
| C17 | C18 | H181 | 106.7° | 109.5° |
| C27 | C28 | N29 | 107.5° | 108.0° |
| C28 | C27 | N32 | 106.7° | 106.9° |
| C27 | C28 | H281 | 126.3° | 126.0° |
| C28 | N29 | C30 | 108.4° | 109.3° |
| N29 | C28 | H281 | 126.3° | 126.0° |
| C27 | N32 | C30 | 108.6° | 107.2° |
| C27 | N32 | C33 | 127.1° | 126.4° |
| C16 | C17 | H171 | 107.5° | 109.5° |
| C16 | C17 | H172 | 107.5° | 109.5° |
| C17 | C16 | H162 | 108.0° | 109.4° |
| C17 | C16 | H161 | 108.0° | 109.5° |
| N29 | C30 | N32 | 108.8° | 108.7° |
| N29 | C30 | C31 | 126.0° | 125.6° |
| C30 | N32 | C33 | 124.3° | 126.4° |
| N32 | C30 | C31 | 125.2° | 125.7° |
| N32 | C33 | H331 | 109.5° | 109.5° |
| N32 | C33 | H332 | 109.5° | 109.5° |
| N32 | C33 | H333 | 109.5° | 109.5° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | N04 | 2.8° | 0.1° |
| C01 | O02 | C03 | C13 | 177.3° | 180.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| F42 | C40 | C38 | N37 | 1.1° | 150.1° |
| F42 | C40 | F41 | C38 | 119.9° | 120.0° |
| F42 | C40 | F41 | F43 | 120.0° | 120.0° |
| F42 | C40 | C38 | F43 | 120.8° | 120.0° |
| F42 | C40 | C38 | C39 | 179.3° | 30.0° |
| O02 | C03 | N04 | C13 | 179.9° | 179.9° |
| O02 | C03 | N04 | C05 | 180.0° | 179.8° |
| O02 | C03 | C13 | C14 | 0.1° | 0.0° |
| O02 | C03 | C13 | C11 | 179.8° | 179.5° |
| C03 | O02 | C01 | H011 | 180.0° | 180.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | N04 | C05 | C06 | 179.9° | 180.0° |
| C03 | N04 | C05 | C10 | 0.1° | 0.0° |
| N04 | C03 | C13 | C14 | 180.0° | 180.0° |
| N04 | C03 | C13 | C11 | 0.2° | 0.6° |
| N04 | C05 | C06 | C10 | 179.7° | 180.0° |
| N04 | C05 | C06 | C07 | 179.9° | 179.9° |
| C05 | N04 | C03 | C13 | 0.1° | 0.3° |
| N04 | C05 | C10 | C11 | 0.3° | 0.0° |
| N04 | C05 | C10 | C09 | 179.9° | 179.7° |
| N04 | C05 | C06 | H061 | 0.1° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C05 | C10 | C11 | 180.0° | 180.0° |
| C06 | C05 | C10 | C09 | 0.2° | 0.3° |
| C05 | C06 | C07 | H071 | 179.8° | 180.0° |
| C07 | C06 | C05 | C10 | 0.2° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.4° |
| C06 | C07 | C08 | C25 | 179.3° | 179.9° |
| N37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C36 | N37 | C38 | C40 | 179.9° | 179.7° |
| C36 | N37 | C38 | C39 | 0.3° | 0.3° |
| N37 | C36 | C35 | C34 | 0.1° | 0.0° |
| N37 | C36 | C35 | H351 | 179.9° | 179.9° |
| C38 | N37 | C36 | C35 | 0.1° | 0.3° |
| N37 | C38 | C40 | F41 | 118.8° | 30.0° |
| N37 | C38 | C40 | C39 | 179.6° | 180.0° |
| N37 | C38 | C40 | F43 | 121.9° | 90.0° |
| N37 | C38 | C39 | C34 | 0.5° | 0.0° |
| C38 | N37 | C36 | H361 | 179.9° | 179.7° |
| N37 | C38 | C39 | H391 | 179.5° | 180.0° |
| C36 | C35 | C34 | H351 | 180.0° | 179.9° |
| C36 | C35 | C34 | C39 | 0.4° | 0.3° |
| C36 | C35 | C34 | C25 | 179.3° | 180.0° |
| F41 | C40 | C38 | F43 | 119.3° | 120.0° |
| F41 | C40 | C38 | C39 | 60.9° | 150.0° |
| C03 | C13 | C14 | C11 | 179.8° | 179.5° |
| C03 | C13 | C11 | C10 | 0.4° | 0.6° |
| C03 | C13 | C14 | N15 | 105.6° | 96.2° |
| C03 | C13 | C11 | CL12 | 179.9° | 179.5° |
| C03 | C13 | C14 | H142 | 15.1° | 23.8° |
| C03 | C13 | C14 | H141 | 133.8° | 143.8° |
| C40 | C38 | C39 | C34 | 179.9° | 180.0° |
| C40 | C38 | C39 | H391 | 0.1° | 0.0° |
| F43 | C40 | C38 | C39 | 58.5° | 90.0° |
| C05 | C10 | C11 | C13 | 0.4° | 0.3° |
| C05 | C10 | C11 | C09 | 179.8° | 179.7° |
| C05 | C10 | C09 | C08 | 0.2° | 0.6° |
| C05 | C10 | C11 | CL12 | 180.0° | 179.8° |
| C10 | C05 | C06 | H061 | 179.8° | 180.0° |
| C05 | C10 | C09 | H091 | 179.8° | 179.7° |
| C07 | C08 | C25 | C34 | 42.6° | 49.5° |
| C07 | C08 | C09 | C10 | 0.6° | 0.6° |
| C07 | C08 | C09 | C25 | 178.8° | 179.7° |
| C07 | C08 | C25 | C27 | 79.4° | 70.6° |
| C07 | C08 | C25 | O26 | 160.0° | 169.5° |
| C08 | C07 | C06 | H061 | 179.9° | 180.0° |
| C07 | C08 | C09 | H091 | 179.5° | 179.7° |
| C38 | C39 | C34 | C35 | 0.6° | 0.2° |
| C38 | C39 | C34 | H391 | 180.0° | 180.0° |
| C38 | C39 | C34 | C25 | 179.6° | 180.0° |
| C35 | C34 | C39 | C25 | 179.0° | 179.8° |
| C35 | C34 | C25 | C08 | 97.0° | 90.0° |
| C35 | C34 | C25 | C27 | 23.1° | 30.0° |
| C35 | C34 | C25 | O26 | 145.8° | 150.0° |
| C34 | C35 | C36 | H361 | 179.9° | 180.0° |
| C35 | C34 | C39 | H391 | 179.4° | 179.7° |
| C19 | C20 | N15 | H202 | 120.4° | 120.0° |
| C19 | C20 | N15 | H201 | 120.4° | 120.1° |
| C20 | C19 | C18 | H191 | 120.9° | 120.0° |
| C20 | C19 | C18 | H192 | 121.0° | 119.9° |
| C20 | C19 | C18 | C21 | 134.9° | 177.6° |
| C19 | C20 | N15 | C14 | 173.0° | 62.3° |
| C19 | C20 | N15 | C16 | 65.9° | 61.7° |
| C20 | C19 | C18 | C17 | 7.9° | 57.6° |
| C19 | C20 | H202 | H201 | 118.9° | 120.0° |
| C20 | C19 | C18 | H181 | 111.7° | 62.3° |
| C20 | C19 | H191 | H192 | 117.0° | 120.1° |
| N15 | C20 | C19 | C18 | 36.7° | 59.2° |
| C20 | N15 | C14 | C13 | 65.1° | 75.4° |
| C20 | N15 | C14 | C16 | 120.2° | 124.1° |
| C20 | N15 | C16 | C17 | 52.5° | 61.7° |
| N15 | C20 | H202 | H201 | 118.9° | 119.9° |
| C20 | N15 | C14 | H142 | 55.6° | 44.6° |
| C20 | N15 | C14 | H141 | 174.3° | 164.6° |
| C20 | N15 | C16 | H162 | 68.3° | 58.3° |
| C20 | N15 | C16 | H161 | 173.4° | 178.3° |
| N15 | C20 | C19 | H191 | 84.3° | 179.2° |
| N15 | C20 | C19 | H192 | 157.7° | 60.7° |
| F23 | C21 | C18 | C19 | 61.8° | 60.3° |
| F23 | C21 | F24 | C18 | 121.5° | 119.9° |
| F23 | C21 | F24 | F22 | 119.1° | 120.1° |
| F23 | C21 | C18 | F22 | 120.3° | 120.1° |
| F23 | C21 | C18 | C17 | 69.3° | 180.0° |
| F23 | C21 | C18 | H181 | 175.9° | 59.9° |
| C39 | C34 | C25 | C08 | 81.9° | 89.7° |
| C39 | C34 | C25 | C27 | 157.9° | 150.3° |
| C39 | C34 | C25 | O26 | 35.3° | 30.2° |
| C39 | C34 | C35 | H351 | 179.6° | 179.8° |
| C19 | C18 | C21 | F24 | 58.5° | 59.7° |
| C19 | C18 | C21 | C17 | 131.1° | 119.7° |
| C19 | C18 | C21 | H181 | 114.1° | 120.2° |
| C19 | C18 | C21 | F22 | 177.9° | 179.7° |
| C19 | C18 | C17 | H181 | 119.4° | 120.0° |
| C19 | C18 | C17 | C16 | 20.9° | 57.6° |
| C19 | C18 | C17 | H171 | 142.0° | 62.3° |
| C19 | C18 | C17 | H172 | 100.2° | 177.6° |
| C18 | C19 | C20 | H202 | 83.7° | 179.2° |
| C18 | C19 | C20 | H201 | 157.0° | 60.9° |
| C18 | C19 | H191 | H192 | 117.1° | 120.1° |
| C34 | C25 | C08 | C09 | 136.2° | 130.2° |
| C34 | C25 | C08 | C27 | 122.0° | 120.0° |
| C34 | C25 | C08 | O26 | 117.4° | 120.0° |
| C34 | C25 | C27 | O26 | 122.4° | 120.0° |
| C34 | C25 | C27 | C28 | 119.4° | 114.2° |
| C34 | C25 | C27 | N32 | 61.2° | 65.7° |
| C25 | C34 | C35 | H351 | 0.7° | 0.0° |
| C25 | C34 | C39 | H391 | 0.4° | 0.0° |
| C34 | C25 | O26 | H261 | 180.0° | 60.0° |
| C14 | C13 | C11 | C10 | 179.8° | 180.0° |
| C13 | C14 | N15 | H142 | 120.7° | 120.0° |
| C13 | C14 | N15 | H141 | 120.6° | 120.0° |
| C14 | C13 | C11 | CL12 | 0.3° | 0.0° |
| C13 | C14 | N15 | C16 | 174.7° | 160.4° |
| C13 | C14 | H142 | H141 | 117.9° | 120.0° |
| C13 | C11 | C10 | CL12 | 179.6° | 179.9° |
| C13 | C11 | C10 | C09 | 179.7° | 180.0° |
| C11 | C13 | C14 | N15 | 74.7° | 83.2° |
| C11 | C13 | C14 | H142 | 164.7° | 156.7° |
| C11 | C13 | C14 | H141 | 46.0° | 36.8° |
| F24 | C21 | C18 | F22 | 119.5° | 120.0° |
| F24 | C21 | C18 | C17 | 170.4° | 60.0° |
| F24 | C21 | C18 | H181 | 55.6° | 179.9° |
| C11 | C10 | C09 | C08 | 179.6° | 179.7° |
| C11 | C10 | C09 | H091 | 0.4° | 0.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.7° |
| C10 | C09 | C08 | C25 | 179.3° | 179.7° |
| C09 | C10 | C11 | CL12 | 0.2° | 0.1° |
| C09 | C08 | C25 | C27 | 101.8° | 109.8° |
| C09 | C08 | C25 | O26 | 18.8° | 10.2° |
| C09 | C08 | C07 | H071 | 179.4° | 179.7° |
| C08 | C25 | C27 | O26 | 120.2° | 120.0° |
| C08 | C25 | C27 | C28 | 2.0° | 5.8° |
| C08 | C25 | C27 | N32 | 178.6° | 174.3° |
| C25 | C08 | C07 | H071 | 0.6° | 0.0° |
| C25 | C08 | C09 | H091 | 0.7° | 0.0° |
| C08 | C25 | O26 | H261 | 65.2° | 60.0° |
| C21 | C18 | C17 | H181 | 113.9° | 120.1° |
| C21 | C18 | C17 | C16 | 147.6° | 177.6° |
| C21 | C18 | C17 | H171 | 91.3° | 57.7° |
| C21 | C18 | C17 | H172 | 26.5° | 62.4° |
| C21 | C18 | C19 | H191 | 104.2° | 62.5° |
| C21 | C18 | C19 | H192 | 13.9° | 57.6° |
| F22 | C21 | C18 | C17 | 51.0° | 60.0° |
| F22 | C21 | C18 | H181 | 63.8° | 60.2° |
| C14 | N15 | C16 | C17 | 177.1° | 62.4° |
| C14 | N15 | C20 | H202 | 66.6° | 57.7° |
| C14 | N15 | C20 | H201 | 52.6° | 177.6° |
| N15 | C14 | H142 | H141 | 118.0° | 120.0° |
| C14 | N15 | C16 | H162 | 56.3° | 177.7° |
| C14 | N15 | C16 | H161 | 62.0° | 57.7° |
| N15 | C16 | C17 | C18 | 9.6° | 59.2° |
| N15 | C16 | C17 | H162 | 120.8° | 120.0° |
| N15 | C16 | C17 | H161 | 120.9° | 120.0° |
| N15 | C16 | C17 | H171 | 111.5° | 60.7° |
| N15 | C16 | C17 | H172 | 130.7° | 179.1° |
| C16 | N15 | C20 | H202 | 54.5° | 178.2° |
| C16 | N15 | C20 | H201 | 173.8° | 58.4° |
| C16 | N15 | C14 | H142 | 64.6° | 79.5° |
| C16 | N15 | C14 | H141 | 54.1° | 40.4° |
| N15 | C16 | H162 | H161 | 117.3° | 120.0° |
| C25 | C27 | C28 | N32 | 179.5° | 180.0° |
| C25 | C27 | C28 | N29 | 179.7° | 180.0° |
| C25 | C27 | N32 | C30 | 179.7° | 180.0° |
| C25 | C27 | N32 | C33 | 0.5° | 0.0° |
| C25 | C27 | C28 | H281 | 0.3° | 0.3° |
| C27 | C25 | O26 | H261 | 55.5° | 180.0° |
| O26 | C25 | C27 | C28 | 118.1° | 125.7° |
| O26 | C25 | C27 | N32 | 61.2° | 54.3° |
| C18 | C17 | C16 | H171 | 121.1° | 119.9° |
| C18 | C17 | C16 | H172 | 121.1° | 120.0° |
| C18 | C17 | H171 | H172 | 116.5° | 120.0° |
| C18 | C17 | C16 | H162 | 111.2° | 60.8° |
| C18 | C17 | C16 | H161 | 130.5° | 179.2° |
| C17 | C18 | C19 | H191 | 128.8° | 177.6° |
| C17 | C18 | C19 | H192 | 113.1° | 62.3° |
| C27 | C28 | N29 | H281 | 180.0° | 179.8° |
| C27 | C28 | N29 | C30 | 0.1° | 0.0° |
| C28 | C27 | N32 | C30 | 0.2° | 0.0° |
| C28 | C27 | N32 | C33 | 180.0° | 180.0° |
| N29 | C28 | C27 | N32 | 0.2° | 0.0° |
| C28 | N29 | C30 | N32 | 0.0° | 0.0° |
| C28 | N29 | C30 | C31 | 180.0° | 180.0° |
| C27 | N32 | C30 | N29 | 0.1° | 0.0° |
| C27 | N32 | C30 | C33 | 179.9° | 180.0° |
| C27 | N32 | C30 | C31 | 179.8° | 180.0° |
| N32 | C27 | C28 | H281 | 179.8° | 179.8° |
| C27 | N32 | C33 | H331 | 180.0° | 90.0° |
| C27 | N32 | C33 | H332 | 60.0° | 150.0° |
| C27 | N32 | C33 | H333 | 60.0° | 30.0° |
| C16 | C17 | H171 | H172 | 116.5° | 120.2° |
| C17 | C16 | H162 | H161 | 117.3° | 120.0° |
| C16 | C17 | C18 | H181 | 98.5° | 62.3° |
| N29 | C30 | N32 | C31 | 179.9° | 180.0° |
| N29 | C30 | N32 | C33 | 179.9° | 180.0° |
| C30 | N29 | C28 | H281 | 179.8° | 179.8° |
| N29 | C30 | C31 | H313 | 0.0° | 90.1° |
| N29 | C30 | C31 | H311 | 120.0° | 150.0° |
| N29 | C30 | C31 | H312 | 120.0° | 30.0° |
| N32 | C30 | C31 | H313 | 179.9° | 90.0° |
| N32 | C30 | C31 | H311 | 59.9° | 30.0° |
| N32 | C30 | C31 | H312 | 60.1° | 150.0° |
| C30 | N32 | C33 | H331 | 0.2° | 90.0° |
| C30 | N32 | C33 | H332 | 119.9° | 29.9° |
| C30 | N32 | C33 | H333 | 120.2° | 149.9° |
| C33 | N32 | C30 | C31 | 0.0° | 0.1° |
| N32 | C33 | H331 | H332 | 120.0° | 120.0° |
| N32 | C33 | H331 | H333 | 120.0° | 120.1° |
| N32 | C33 | H332 | H333 | 120.0° | 120.0° |
| C30 | C31 | H313 | H311 | 120.0° | 120.0° |
| C30 | C31 | H313 | H312 | 120.0° | 120.1° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| H171 | C17 | C16 | H162 | 127.7° | 179.3° |
| H171 | C17 | C16 | H161 | 9.4° | 59.3° |
| H171 | C17 | C18 | H181 | 22.6° | 177.8° |
| H172 | C17 | C16 | H162 | 9.9° | 59.1° |
| H172 | C17 | C16 | H161 | 108.4° | 60.8° |
| H172 | C17 | C18 | H181 | 140.4° | 57.7° |
| H202 | C20 | C19 | H191 | 155.4° | 60.8° |
| H202 | C20 | C19 | H192 | 37.3° | 59.3° |
| H201 | C20 | C19 | H191 | 36.1° | 59.1° |
| H201 | C20 | C19 | H192 | 82.0° | 179.2° |
| H011 | C01 | H013 | H012 | 120.0° | 119.9° |
| H061 | C06 | C07 | H071 | 0.2° | 0.1° |
| H181 | C18 | C19 | H191 | 9.2° | 57.7° |
| H181 | C18 | C19 | H192 | 127.3° | 177.8° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 119.9° |
| H351 | C35 | C36 | H361 | 0.1° | 0.0° |
