AI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N28 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C33 | N28 | sing | 1.47Å | 1.39Å | |
| C33 | C32 | sing | 1.53Å | 1.43Å | |
| N28 | C30 | sing | 1.47Å | 1.36Å | |
| C32 | C34 | sing | 1.53Å | 1.40Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.40Å | |
| C34 | C31 | sing | 1.53Å | 1.43Å | |
| C34 | C35 | sing | 1.51Å | 1.39Å | |
| C25 | O11 | sing | 1.43Å | 1.42Å | |
| C36 | C35 | doub | 1.38Å | 1.12Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.09Å | Aromatic |
| C37 | C38 | doub | 1.40Å | 1.67Å | Aromatic |
| O11 | C02 | sing | 1.36Å | 1.43Å | |
| C40 | C39 | doub | 1.38Å | 1.36Å | Aromatic |
| O12 | C01 | sing | 1.36Å | 1.41Å | |
| O12 | C29 | sing | 1.43Å | 1.41Å | |
| C38 | C39 | sing | 1.40Å | 1.64Å | Aromatic |
| C38 | C41 | sing | 1.48Å | 1.35Å | |
| C02 | C01 | doub | 1.40Å | 1.42Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| O43 | C41 | doub | 1.22Å | 1.16Å | |
| C01 | C06 | sing | 1.37Å | 1.41Å | Aromatic |
| C41 | N42 | sing | 1.35Å | 1.45Å | |
| C03 | C04 | doub | 1.40Å | 1.45Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.44Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.37Å | Aromatic |
| C04 | N07 | sing | 1.34Å | 1.38Å | Aromatic |
| C05 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
| N07 | C08 | doub | 1.31Å | 1.35Å | Aromatic |
| C10 | O13 | sing | 1.35Å | 1.41Å | |
| C10 | N09 | doub | 1.33Å | 1.33Å | Aromatic |
| C08 | N09 | sing | 1.32Å | 1.34Å | Aromatic |
| O13 | C14 | sing | 1.36Å | 1.42Å | |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| F23 | C15 | sing | 1.35Å | 1.35Å | |
| C18 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.44Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.36Å | Aromatic |
| C17 | N22 | sing | 1.38Å | 1.35Å | Aromatic |
| C16 | C20 | sing | 1.47Å | 1.44Å | Aromatic |
| N22 | C21 | sing | 1.37Å | 1.31Å | Aromatic |
| C20 | C21 | doub | 1.34Å | 1.40Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.55Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N22 | H1 | sing | 0.97Å | 1.00Å | |
| N42 | H421 | sing | 0.97Å | 1.00Å | |
| N42 | H422 | sing | 0.97Å | 1.00Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C34 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C27 | C26 | 109.4° | 109.5° |
| C27 | N28 | C33 | 122.7° | 111.0° |
| C27 | N28 | C30 | 117.9° | 111.0° |
| N28 | C27 | H271 | 109.5° | 109.4° |
| N28 | C27 | H272 | 109.5° | 109.5° |
| C27 | C26 | C25 | 110.4° | 109.5° |
| C27 | C26 | H261 | 109.2° | 109.5° |
| C27 | C26 | H262 | 109.2° | 109.4° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| N28 | C33 | C32 | 123.0° | 109.6° |
| C33 | N28 | C30 | 119.5° | 111.1° |
| N28 | C33 | H331 | 106.0° | 109.4° |
| N28 | C33 | H5 | 106.0° | 109.4° |
| C33 | C32 | C34 | 118.8° | 109.3° |
| C33 | C32 | H321 | 107.1° | 109.5° |
| C32 | C33 | H331 | 106.0° | 109.4° |
| C33 | C32 | H4 | 107.1° | 109.5° |
| C32 | C33 | H5 | 106.0° | 109.5° |
| N28 | C30 | C31 | 118.2° | 109.6° |
| N28 | C30 | H301 | 107.2° | 109.5° |
| N28 | C30 | H2 | 107.3° | 109.5° |
| C32 | C34 | C31 | 115.5° | 109.1° |
| C32 | C34 | C35 | 123.9° | 109.5° |
| C34 | C32 | H321 | 107.1° | 109.5° |
| C34 | C32 | H4 | 107.1° | 109.5° |
| C32 | C34 | H6 | 90.1° | 109.5° |
| C26 | C25 | O11 | 107.9° | 109.5° |
| C25 | C26 | H261 | 109.2° | 109.5° |
| C25 | C26 | H262 | 109.2° | 109.5° |
| C26 | C25 | H252 | 109.9° | 109.5° |
| C26 | C25 | H251 | 109.9° | 109.5° |
| C30 | C31 | C34 | 125.0° | 109.3° |
| C31 | C30 | H301 | 107.3° | 109.5° |
| C30 | C31 | H311 | 105.5° | 109.5° |
| C31 | C30 | H2 | 107.2° | 109.4° |
| C30 | C31 | H3 | 105.5° | 109.5° |
| C31 | C34 | C35 | 120.6° | 109.5° |
| C34 | C31 | H311 | 105.5° | 109.5° |
| C34 | C31 | H3 | 105.5° | 109.5° |
| C31 | C34 | H6 | 90.0° | 109.5° |
| C34 | C35 | C36 | 124.6° | 119.8° |
| C34 | C35 | C40 | 109.8° | 119.9° |
| C35 | C34 | H6 | 90.1° | 109.6° |
| C25 | O11 | C02 | 108.8° | 117.0° |
| O11 | C25 | H252 | 109.8° | 109.5° |
| O11 | C25 | H251 | 109.9° | 109.4° |
| C35 | C36 | C37 | 128.6° | 120.1° |
| C36 | C35 | C40 | 125.6° | 120.3° |
| C35 | C36 | H361 | 115.7° | 119.9° |
| C36 | C37 | C38 | 118.3° | 119.9° |
| C37 | C36 | H361 | 115.7° | 119.9° |
| C36 | C37 | H371 | 120.8° | 120.1° |
| C35 | C40 | C39 | 128.0° | 120.2° |
| C35 | C40 | H401 | 116.0° | 119.9° |
| C37 | C38 | C39 | 97.9° | 119.7° |
| C37 | C38 | C41 | 109.5° | 120.2° |
| C38 | C37 | H371 | 120.8° | 120.0° |
| O11 | C02 | C01 | 123.2° | 119.7° |
| O11 | C02 | C03 | 118.2° | 119.6° |
| C40 | C39 | C38 | 121.4° | 119.9° |
| C40 | C39 | H391 | 119.3° | 120.1° |
| C39 | C40 | H401 | 116.0° | 120.0° |
| C01 | O12 | C29 | 116.1° | 117.0° |
| O12 | C01 | C02 | 120.2° | 119.6° |
| O12 | C01 | C06 | 118.9° | 119.6° |
| O12 | C29 | H292 | 109.5° | 109.5° |
| O12 | C29 | H291 | 109.5° | 109.5° |
| O12 | C29 | H293 | 109.5° | 109.5° |
| C39 | C38 | C41 | 152.2° | 120.2° |
| C38 | C39 | H391 | 119.3° | 120.1° |
| C38 | C41 | O43 | 124.8° | 120.0° |
| C38 | C41 | N42 | 135.0° | 120.0° |
| C01 | C02 | C03 | 118.6° | 120.7° |
| C02 | C01 | C06 | 120.9° | 120.8° |
| C02 | C03 | C04 | 121.1° | 119.5° |
| C02 | C03 | H031 | 119.4° | 120.3° |
| O43 | C41 | N42 | 99.5° | 120.0° |
| C01 | C06 | C05 | 119.7° | 119.6° |
| C01 | C06 | H061 | 120.1° | 120.2° |
| C41 | N42 | H421 | 120.0° | 120.0° |
| C41 | N42 | H422 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 119.5° |
| C03 | C04 | N07 | 121.0° | 121.8° |
| C04 | C03 | H031 | 119.4° | 120.2° |
| C06 | C05 | C04 | 119.6° | 119.9° |
| C06 | C05 | C10 | 122.5° | 121.9° |
| C05 | C06 | H061 | 120.2° | 120.2° |
| C05 | C04 | N07 | 118.9° | 118.7° |
| C04 | C05 | C10 | 117.9° | 118.2° |
| C04 | N07 | C08 | 121.4° | 120.4° |
| C05 | C10 | O13 | 118.7° | 120.9° |
| C05 | C10 | N09 | 119.9° | 118.3° |
| N07 | C08 | N09 | 120.8° | 123.0° |
| N07 | C08 | H081 | 119.6° | 118.5° |
| O13 | C10 | N09 | 121.4° | 120.9° |
| C10 | O13 | C14 | 118.2° | 118.0° |
| C10 | N09 | C08 | 121.0° | 121.5° |
| N09 | C08 | H081 | 119.6° | 118.5° |
| O13 | C14 | C19 | 117.7° | 119.9° |
| O13 | C14 | C15 | 124.4° | 119.9° |
| C19 | C14 | C15 | 117.8° | 120.2° |
| C14 | C19 | C18 | 120.6° | 120.7° |
| C14 | C19 | H191 | 119.7° | 119.7° |
| C14 | C15 | F23 | 116.2° | 120.2° |
| C14 | C15 | C16 | 122.1° | 119.6° |
| C19 | C18 | C17 | 121.4° | 120.0° |
| C19 | C18 | H181 | 119.3° | 120.0° |
| C18 | C19 | H191 | 119.7° | 119.7° |
| F23 | C15 | C16 | 121.6° | 120.2° |
| C18 | C17 | C16 | 118.9° | 119.6° |
| C18 | C17 | N22 | 132.6° | 133.3° |
| C17 | C18 | H181 | 119.3° | 120.0° |
| C15 | C16 | C17 | 119.2° | 120.0° |
| C15 | C16 | C20 | 134.9° | 133.9° |
| C16 | C17 | N22 | 108.5° | 107.1° |
| C17 | C16 | C20 | 105.9° | 106.1° |
| C17 | N22 | C21 | 111.6° | 109.9° |
| C17 | N22 | H1 | 124.2° | 125.1° |
| C16 | C20 | C21 | 106.4° | 107.0° |
| C16 | C20 | H201 | 126.8° | 126.5° |
| N22 | C21 | C20 | 107.5° | 109.9° |
| N22 | C21 | C24 | 125.5° | 125.0° |
| C21 | N22 | H1 | 124.2° | 125.0° |
| C20 | C21 | C24 | 126.9° | 125.0° |
| C21 | C20 | H201 | 126.8° | 126.5° |
| C21 | C24 | H242 | 109.5° | 109.4° |
| C21 | C24 | H241 | 109.5° | 109.4° |
| C21 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.4° | 109.4° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H301 | C30 | H2 | 109.5° | 109.4° |
| H311 | C31 | H3 | 109.4° | 109.5° |
| H321 | C32 | H4 | 109.5° | 109.5° |
| H331 | C33 | H5 | 109.5° | 109.5° |
| H421 | N42 | H422 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C27 | C26 | H271 | 120.0° | 120.0° |
| N28 | C27 | C26 | H272 | 120.0° | 120.0° |
| C27 | N28 | C33 | C30 | 179.7° | 124.1° |
| C27 | N28 | C33 | C32 | 179.9° | 174.1° |
| N28 | C27 | C26 | C25 | 78.7° | 180.0° |
| C27 | N28 | C30 | C31 | 179.7° | 174.1° |
| N28 | C27 | C26 | H261 | 41.4° | 60.0° |
| N28 | C27 | C26 | H262 | 161.2° | 60.0° |
| N28 | C27 | H271 | H272 | 120.0° | 120.0° |
| C27 | N28 | C30 | H301 | 58.5° | 65.8° |
| C27 | N28 | C33 | H331 | 58.3° | 54.2° |
| C27 | N28 | C30 | H2 | 59.0° | 54.2° |
| C27 | N28 | C33 | H5 | 58.0° | 65.8° |
| C26 | C27 | N28 | C33 | 110.4° | 170.0° |
| C26 | C27 | N28 | C30 | 69.2° | 65.8° |
| C27 | C26 | C25 | H261 | 120.1° | 120.0° |
| C27 | C26 | C25 | H262 | 120.1° | 120.0° |
| C27 | C26 | C25 | O11 | 114.7° | 180.0° |
| C27 | C26 | H261 | H262 | 119.6° | 119.9° |
| C27 | C26 | C25 | H252 | 125.6° | 60.0° |
| C27 | C26 | C25 | H251 | 5.0° | 60.0° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| N28 | C33 | C32 | H331 | 121.8° | 120.0° |
| N28 | C33 | C32 | H5 | 121.9° | 120.0° |
| N28 | C33 | C32 | C34 | 0.2° | 59.2° |
| C33 | N28 | C30 | C31 | 0.1° | 61.8° |
| C33 | N28 | C27 | H271 | 9.6° | 70.0° |
| C33 | N28 | C27 | H272 | 129.6° | 50.0° |
| C33 | N28 | C30 | H301 | 121.2° | 58.3° |
| N28 | C33 | C32 | H321 | 121.1° | 179.1° |
| N28 | C33 | H331 | H5 | 113.9° | 119.9° |
| C33 | N28 | C30 | H2 | 121.3° | 178.3° |
| N28 | C33 | C32 | H4 | 121.5° | 60.7° |
| C32 | C33 | N28 | C30 | 0.2° | 61.8° |
| C33 | C32 | C34 | H321 | 121.3° | 119.9° |
| C33 | C32 | C34 | H4 | 121.3° | 120.0° |
| C33 | C32 | C34 | C31 | 0.0° | 57.7° |
| C33 | C32 | C34 | C35 | 179.8° | 177.6° |
| C33 | C32 | H321 | H4 | 115.8° | 120.2° |
| C32 | C33 | H331 | H5 | 113.9° | 120.0° |
| C33 | C32 | C34 | H6 | 90.1° | 62.2° |
| N28 | C30 | C31 | H301 | 121.2° | 120.1° |
| N28 | C30 | C31 | H2 | 121.2° | 120.0° |
| N28 | C30 | C31 | C34 | 0.1° | 59.2° |
| C30 | N28 | C27 | H271 | 170.8° | 54.2° |
| C30 | N28 | C27 | H272 | 50.7° | 174.2° |
| N28 | C30 | H301 | H2 | 116.0° | 120.0° |
| N28 | C30 | C31 | H311 | 122.0° | 60.7° |
| C30 | N28 | C33 | H331 | 122.0° | 178.3° |
| N28 | C30 | C31 | H3 | 122.2° | 179.2° |
| C30 | N28 | C33 | H5 | 121.6° | 58.3° |
| C32 | C34 | C31 | C30 | 0.1° | 57.7° |
| C32 | C34 | C31 | C35 | 179.8° | 119.9° |
| C32 | C34 | C31 | H6 | 90.1° | 119.8° |
| C32 | C34 | C35 | H6 | 90.1° | 120.1° |
| C32 | C34 | C35 | C36 | 0.6° | 60.3° |
| C32 | C34 | C35 | C40 | 178.5° | 120.0° |
| C32 | C34 | C31 | H311 | 122.0° | 62.3° |
| C34 | C32 | H321 | H4 | 115.8° | 120.1° |
| C34 | C32 | C33 | H331 | 122.0° | 179.2° |
| C32 | C34 | C31 | H3 | 122.2° | 177.6° |
| C34 | C32 | C33 | H5 | 121.7° | 60.8° |
| C26 | C25 | O11 | H252 | 119.7° | 120.1° |
| C26 | C25 | O11 | H251 | 119.8° | 120.0° |
| C26 | C25 | O11 | C02 | 144.2° | 180.0° |
| C25 | C26 | H261 | H262 | 119.6° | 120.1° |
| C26 | C25 | H252 | H251 | 120.8° | 120.0° |
| C25 | C26 | C27 | H271 | 161.3° | 60.0° |
| C25 | C26 | C27 | H272 | 41.3° | 60.0° |
| C30 | C31 | C34 | H311 | 122.1° | 119.9° |
| C30 | C31 | C34 | H3 | 122.1° | 120.0° |
| C30 | C31 | C34 | C35 | 179.9° | 177.6° |
| C31 | C30 | H301 | H2 | 116.1° | 119.9° |
| C30 | C31 | H311 | H3 | 113.0° | 120.2° |
| C30 | C31 | C34 | H6 | 90.0° | 62.2° |
| C31 | C34 | C35 | H6 | 90.1° | 120.2° |
| C31 | C34 | C35 | C36 | 179.6° | 59.4° |
| C31 | C34 | C35 | C40 | 1.3° | 120.3° |
| C34 | C31 | C30 | H301 | 121.3° | 60.9° |
| C34 | C31 | H311 | H3 | 113.0° | 120.1° |
| C31 | C34 | C32 | H321 | 121.3° | 177.6° |
| C34 | C31 | C30 | H2 | 121.2° | 179.2° |
| C31 | C34 | C32 | H4 | 121.4° | 62.3° |
| C34 | C35 | C36 | C40 | 178.9° | 179.7° |
| C34 | C35 | C36 | C37 | 178.7° | 180.0° |
| C34 | C35 | C40 | C39 | 178.5° | 179.8° |
| C35 | C34 | C31 | H311 | 57.8° | 57.6° |
| C35 | C34 | C32 | H321 | 58.9° | 62.5° |
| C34 | C35 | C36 | H361 | 1.3° | 0.0° |
| C34 | C35 | C40 | H401 | 1.5° | 0.0° |
| C35 | C34 | C31 | H3 | 58.0° | 62.5° |
| C35 | C34 | C32 | H4 | 58.4° | 57.6° |
| C25 | O11 | C02 | C01 | 70.0° | 180.0° |
| C25 | O11 | C02 | C03 | 108.4° | 0.0° |
| O11 | C25 | C26 | H261 | 5.4° | 60.0° |
| O11 | C25 | C26 | H262 | 125.2° | 60.0° |
| O11 | C25 | H252 | H251 | 120.7° | 119.9° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 3.4° | 0.0° |
| C36 | C35 | C40 | C39 | 2.4° | 0.5° |
| C35 | C36 | C37 | H371 | 176.6° | 180.0° |
| C36 | C35 | C40 | H401 | 177.6° | 179.7° |
| C36 | C35 | C34 | H6 | 89.5° | 179.6° |
| C37 | C36 | C35 | C40 | 0.2° | 0.3° |
| C36 | C37 | C38 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 3.2° | 0.0° |
| C36 | C37 | C38 | C41 | 178.2° | 180.0° |
| C35 | C40 | C39 | H401 | 180.0° | 179.8° |
| C35 | C40 | C39 | C38 | 1.3° | 0.5° |
| C40 | C35 | C36 | H361 | 179.8° | 179.7° |
| C35 | C40 | C39 | H391 | 178.7° | 179.7° |
| C40 | C35 | C34 | H6 | 91.4° | 0.1° |
| C37 | C38 | C39 | C40 | 1.4° | 0.2° |
| C37 | C38 | C39 | C41 | 169.9° | 180.0° |
| C37 | C38 | C41 | O43 | 6.1° | 0.0° |
| C37 | C38 | C41 | N42 | 174.9° | 180.0° |
| C38 | C37 | C36 | H361 | 176.6° | 180.0° |
| C37 | C38 | C39 | H391 | 178.6° | 180.0° |
| O11 | C02 | C01 | O12 | 1.4° | 0.0° |
| O11 | C02 | C01 | C03 | 178.4° | 180.0° |
| O11 | C02 | C01 | C06 | 178.5° | 180.0° |
| O11 | C02 | C03 | C04 | 178.5° | 180.0° |
| O11 | C02 | C03 | H031 | 1.4° | 0.0° |
| C02 | O11 | C25 | H252 | 24.4° | 60.0° |
| C02 | O11 | C25 | H251 | 96.1° | 60.0° |
| C40 | C39 | C38 | H391 | 180.0° | 179.8° |
| C40 | C39 | C38 | C41 | 171.3° | 179.8° |
| O12 | C01 | C02 | C06 | 179.9° | 179.9° |
| O12 | C01 | C02 | C03 | 179.8° | 180.0° |
| O12 | C01 | C06 | C05 | 179.9° | 180.0° |
| O12 | C01 | C06 | H061 | 0.1° | 0.1° |
| C01 | O12 | C29 | H292 | 180.0° | 180.0° |
| C01 | O12 | C29 | H291 | 60.0° | 60.0° |
| C01 | O12 | C29 | H293 | 60.0° | 60.0° |
| C29 | O12 | C01 | C02 | 137.4° | 180.0° |
| C29 | O12 | C01 | C06 | 42.7° | 0.0° |
| O12 | C29 | H292 | H291 | 120.0° | 120.0° |
| O12 | C29 | H292 | H293 | 120.0° | 120.0° |
| O12 | C29 | H291 | H293 | 120.0° | 120.0° |
| C39 | C38 | C41 | O43 | 175.5° | 180.0° |
| C39 | C38 | C41 | N42 | 15.7° | 0.1° |
| C39 | C38 | C37 | H371 | 176.8° | 180.0° |
| C38 | C39 | C40 | H401 | 178.7° | 179.7° |
| C38 | C41 | O43 | N42 | 172.0° | 179.9° |
| C41 | C38 | C37 | H371 | 1.8° | 0.0° |
| C41 | C38 | C39 | H391 | 8.6° | 0.0° |
| C38 | C41 | N42 | H421 | 170.7° | 0.1° |
| C38 | C41 | N42 | H422 | 9.4° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.1° |
| C01 | C02 | C03 | H031 | 179.9° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C02 | C03 | C04 | N07 | 179.7° | 179.9° |
| O43 | C41 | N42 | H421 | 0.0° | 180.0° |
| O43 | C41 | N42 | H422 | 180.0° | 0.1° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.4° | 0.1° |
| C01 | C06 | C05 | C10 | 179.0° | 180.0° |
| C41 | N42 | H421 | H422 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | N07 | 179.5° | 179.9° |
| C03 | C04 | C05 | C10 | 179.0° | 180.0° |
| C03 | C04 | N07 | C08 | 179.0° | 179.7° |
| C06 | C05 | C04 | C10 | 179.4° | 180.0° |
| C06 | C05 | C04 | N07 | 179.9° | 179.9° |
| C06 | C05 | C10 | O13 | 0.4° | 0.0° |
| C06 | C05 | C10 | N09 | 179.5° | 179.8° |
| C05 | C04 | N07 | C08 | 0.5° | 0.4° |
| C04 | C05 | C10 | O13 | 179.1° | 180.0° |
| C04 | C05 | C10 | N09 | 0.1° | 0.2° |
| C05 | C04 | C03 | H031 | 179.8° | 179.9° |
| C04 | C05 | C06 | H061 | 179.6° | 179.9° |
| N07 | C04 | C05 | C10 | 0.5° | 0.1° |
| C04 | N07 | C08 | N09 | 0.1° | 0.4° |
| N07 | C04 | C03 | H031 | 0.3° | 0.0° |
| C04 | N07 | C08 | H081 | 179.9° | 179.7° |
| C05 | C10 | O13 | N09 | 179.2° | 179.8° |
| C05 | C10 | N09 | C08 | 0.3° | 0.2° |
| C05 | C10 | O13 | C14 | 160.1° | 174.9° |
| C10 | C05 | C06 | H061 | 1.0° | 0.1° |
| N07 | C08 | N09 | C10 | 0.3° | 0.1° |
| N07 | C08 | N09 | H081 | 180.0° | 179.9° |
| O13 | C10 | N09 | C08 | 179.4° | 180.0° |
| C10 | O13 | C14 | C19 | 137.7° | 94.4° |
| C10 | O13 | C14 | C15 | 45.2° | 85.7° |
| N09 | C10 | O13 | C14 | 19.0° | 5.3° |
| C10 | N09 | C08 | H081 | 179.7° | 180.0° |
| O13 | C14 | C19 | C15 | 177.2° | 179.9° |
| O13 | C14 | C19 | C18 | 179.3° | 179.9° |
| O13 | C14 | C15 | F23 | 2.4° | 0.3° |
| O13 | C14 | C15 | C16 | 179.0° | 180.0° |
| O13 | C14 | C19 | H191 | 0.7° | 0.1° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C19 | C14 | C15 | F23 | 179.4° | 179.7° |
| C14 | C19 | C18 | C17 | 1.3° | 0.0° |
| C19 | C14 | C15 | C16 | 1.9° | 0.0° |
| C14 | C19 | C18 | H181 | 178.7° | 179.9° |
| C15 | C14 | C19 | C18 | 2.0° | 0.0° |
| C14 | C15 | F23 | C16 | 178.7° | 179.7° |
| C14 | C15 | C16 | C17 | 1.0° | 0.0° |
| C14 | C15 | C16 | C20 | 179.1° | 180.0° |
| C15 | C14 | C19 | H191 | 178.0° | 180.0° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.1° |
| C19 | C18 | C17 | N22 | 179.4° | 180.0° |
| F23 | C15 | C16 | C17 | 179.6° | 179.7° |
| F23 | C15 | C16 | C20 | 0.5° | 0.2° |
| C18 | C17 | C16 | C15 | 0.2° | 0.1° |
| C18 | C17 | C16 | N22 | 179.8° | 179.9° |
| C18 | C17 | C16 | C20 | 179.9° | 180.0° |
| C18 | C17 | N22 | C21 | 179.6° | 179.9° |
| C17 | C18 | C19 | H191 | 178.7° | 179.9° |
| C18 | C17 | N22 | H1 | 0.4° | 0.1° |
| C15 | C16 | C17 | C20 | 179.9° | 180.0° |
| C15 | C16 | C17 | N22 | 179.6° | 180.0° |
| C15 | C16 | C20 | C21 | 180.0° | 180.0° |
| C15 | C16 | C20 | H201 | 0.1° | 0.1° |
| C16 | C17 | N22 | C21 | 0.6° | 0.0° |
| C17 | C16 | C20 | C21 | 0.1° | 0.1° |
| C17 | C16 | C20 | H201 | 179.9° | 180.0° |
| C16 | C17 | C18 | H181 | 179.7° | 180.0° |
| C16 | C17 | N22 | H1 | 179.4° | 180.0° |
| N22 | C17 | C16 | C20 | 0.3° | 0.1° |
| C17 | N22 | C21 | H1 | 180.0° | 180.0° |
| C17 | N22 | C21 | C20 | 0.7° | 0.0° |
| C17 | N22 | C21 | C24 | 178.6° | 180.0° |
| N22 | C17 | C18 | H181 | 0.6° | 0.1° |
| C16 | C20 | C21 | N22 | 0.5° | 0.0° |
| C16 | C20 | C21 | H201 | 180.0° | 179.9° |
| C16 | C20 | C21 | C24 | 178.3° | 180.0° |
| N22 | C21 | C20 | C24 | 177.8° | 180.0° |
| N22 | C21 | C20 | H201 | 179.5° | 180.0° |
| N22 | C21 | C24 | H242 | 88.8° | 90.0° |
| N22 | C21 | C24 | H241 | 151.3° | 30.0° |
| N22 | C21 | C24 | H243 | 31.2° | 150.0° |
| C20 | C21 | C24 | H242 | 88.7° | 90.0° |
| C20 | C21 | C24 | H241 | 31.3° | 150.0° |
| C20 | C21 | C24 | H243 | 151.3° | 29.9° |
| C20 | C21 | N22 | H1 | 179.3° | 180.0° |
| C24 | C21 | C20 | H201 | 1.6° | 0.0° |
| C21 | C24 | H242 | H241 | 120.0° | 120.0° |
| C21 | C24 | H242 | H243 | 120.0° | 119.9° |
| C21 | C24 | H241 | H243 | 120.0° | 120.0° |
| C24 | C21 | N22 | H1 | 1.4° | 0.0° |
| H242 | C24 | H241 | H243 | 120.0° | 120.0° |
| H261 | C26 | C25 | H252 | 114.3° | 60.0° |
| H261 | C26 | C25 | H251 | 125.2° | 180.0° |
| H261 | C26 | C27 | H271 | 78.6° | 180.0° |
| H261 | C26 | C27 | H272 | 161.4° | 60.0° |
| H262 | C26 | C25 | H252 | 5.4° | 179.9° |
| H262 | C26 | C25 | H251 | 115.1° | 60.0° |
| H262 | C26 | C27 | H271 | 41.1° | 60.0° |
| H262 | C26 | C27 | H272 | 78.9° | 180.0° |
| H181 | C18 | C19 | H191 | 1.3° | 0.0° |
| H292 | C29 | H291 | H293 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 0.8° | 179.2° |
| H301 | C30 | C31 | H3 | 116.6° | 59.1° |
| H311 | C31 | C30 | H2 | 116.7° | 59.3° |
| H311 | C31 | C34 | H6 | 147.9° | 177.9° |
| H321 | C32 | C33 | H331 | 0.7° | 60.9° |
| H321 | C32 | C33 | H5 | 117.0° | 59.1° |
| H321 | C32 | C34 | H6 | 31.3° | 57.7° |
| H331 | C33 | C32 | H4 | 116.6° | 59.2° |
| H361 | C36 | C37 | H371 | 3.4° | 0.0° |
| H391 | C39 | C40 | H401 | 1.3° | 0.1° |
| H2 | C30 | C31 | H3 | 0.9° | 60.8° |
| H3 | C31 | C34 | H6 | 32.1° | 57.8° |
| H4 | C32 | C33 | H5 | 0.3° | 179.2° |
| H4 | C32 | C34 | H6 | 148.6° | 177.8° |
