VJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.45Å | |
| C18 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.37Å | |
| N17 | C16 | sing | 1.35Å | 1.46Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | O25 | doub | 1.21Å | 1.19Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C11 | N10 | sing | 1.40Å | 1.45Å | |
| C11 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.38Å | 1.44Å | |
| C02 | C41 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | N03 | doub | 1.31Å | 1.33Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C05 | doub | 1.36Å | 1.38Å | Aromatic |
| C09 | N08 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | N28 | sing | 1.32Å | 1.31Å | Aromatic |
| N08 | C07 | sing | 1.33Å | 1.32Å | Aromatic |
| N28 | C29 | doub | 1.33Å | 1.31Å | Aromatic |
| N03 | N04 | sing | 1.40Å | 1.37Å | Aromatic |
| C05 | N06 | sing | 1.39Å | 1.46Å | |
| C05 | N04 | sing | 1.36Å | 1.31Å | Aromatic |
| C07 | N06 | sing | 1.39Å | 1.46Å | |
| C07 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.48Å | 1.53Å | |
| C30 | C39 | sing | 1.41Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.37Å | 1.37Å | Aromatic |
| C39 | N38 | doub | 1.31Å | 1.33Å | Aromatic |
| C31 | N32 | sing | 1.35Å | 1.32Å | Aromatic |
| N38 | N32 | sing | 1.40Å | 1.37Å | Aromatic |
| N32 | C33 | sing | 1.46Å | 1.45Å | |
| N35 | C37 | sing | 1.47Å | 1.45Å | |
| N35 | C36 | sing | 1.47Å | 1.45Å | |
| N35 | C34 | sing | 1.47Å | 1.45Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | 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 | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 120.0° | 120.1° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.1° |
| C19 | C20 | H201 | 120.0° | 119.9° |
| C20 | C21 | C22 | 120.1° | 120.1° |
| C21 | C20 | H201 | 120.0° | 120.0° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C19 | C18 | N17 | 120.7° | 120.1° |
| C19 | C18 | C24 | 120.0° | 119.8° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C21 | C22 | C24 | 119.9° | 120.1° |
| C21 | C22 | F23 | 120.2° | 119.9° |
| C22 | C21 | H211 | 119.9° | 120.0° |
| N17 | C18 | C24 | 119.3° | 120.1° |
| C18 | N17 | C16 | 121.0° | 120.0° |
| C18 | N17 | H171 | 119.5° | 120.0° |
| C18 | C24 | C22 | 120.1° | 119.9° |
| C18 | C24 | H241 | 119.9° | 120.0° |
| C24 | C22 | F23 | 119.9° | 120.0° |
| C22 | C24 | H241 | 120.0° | 120.1° |
| N17 | C16 | C15 | 119.2° | 120.0° |
| N17 | C16 | O25 | 120.7° | 120.0° |
| C16 | N17 | H171 | 119.5° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C13 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | H131 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.5° | 119.9° |
| C13 | C14 | C26 | 120.4° | 120.1° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C12 | C11 | N10 | 119.3° | 120.1° |
| C12 | C11 | C27 | 120.4° | 119.8° |
| C11 | C12 | H121 | 120.1° | 120.1° |
| C15 | C16 | O25 | 120.2° | 120.0° |
| C16 | C15 | C14 | 111.7° | 109.5° |
| C16 | C15 | H152 | 108.9° | 109.5° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C15 | C14 | C26 | 120.2° | 119.9° |
| C14 | C15 | H152 | 108.9° | 109.4° |
| C14 | C15 | H151 | 108.9° | 109.5° |
| C14 | C26 | C27 | 119.8° | 120.1° |
| C14 | C26 | H261 | 120.1° | 119.9° |
| C01 | C02 | C41 | 127.5° | 125.7° |
| C01 | C02 | N03 | 124.9° | 125.7° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| N10 | C11 | C27 | 120.3° | 120.1° |
| C11 | N10 | C09 | 121.5° | 120.0° |
| C11 | N10 | H101 | 119.3° | 120.0° |
| C11 | C27 | C26 | 119.8° | 120.0° |
| C11 | C27 | H271 | 120.1° | 120.0° |
| N10 | C09 | N08 | 121.4° | 119.1° |
| N10 | C09 | N28 | 117.4° | 119.1° |
| C09 | N10 | H101 | 119.3° | 120.0° |
| C41 | C02 | N03 | 107.6° | 108.5° |
| C02 | C41 | C05 | 107.6° | 107.8° |
| C02 | C41 | H411 | 126.2° | 126.1° |
| C02 | N03 | N04 | 107.1° | 108.4° |
| C27 | C26 | H261 | 120.1° | 120.1° |
| C26 | C27 | H271 | 120.1° | 120.0° |
| C41 | C05 | N06 | 128.8° | 126.2° |
| C41 | C05 | N04 | 106.5° | 107.5° |
| C05 | C41 | H411 | 126.2° | 126.1° |
| N08 | C09 | N28 | 121.2° | 121.8° |
| C09 | N08 | C07 | 120.4° | 120.8° |
| C09 | N28 | C29 | 122.5° | 120.8° |
| N08 | C07 | N06 | 121.0° | 120.4° |
| N08 | C07 | C40 | 119.6° | 119.2° |
| N28 | C29 | C40 | 118.4° | 119.0° |
| N28 | C29 | C30 | 117.1° | 120.5° |
| N03 | N04 | C05 | 111.3° | 107.8° |
| N03 | N04 | H041 | 124.4° | 126.1° |
| N06 | C05 | N04 | 124.7° | 126.3° |
| C05 | N06 | C07 | 123.9° | 120.0° |
| C05 | N06 | H061 | 118.1° | 120.0° |
| C05 | N04 | H041 | 124.3° | 126.1° |
| N06 | C07 | C40 | 119.3° | 120.4° |
| C07 | N06 | H061 | 118.0° | 120.0° |
| C07 | C40 | C29 | 117.9° | 118.4° |
| C07 | C40 | H401 | 121.1° | 120.9° |
| C40 | C29 | C30 | 124.5° | 120.5° |
| C29 | C40 | H401 | 121.1° | 120.7° |
| C29 | C30 | C39 | 123.5° | 126.3° |
| C29 | C30 | C31 | 129.1° | 126.2° |
| C39 | C30 | C31 | 107.4° | 107.5° |
| C30 | C39 | N38 | 107.9° | 108.1° |
| C30 | C39 | H391 | 126.0° | 125.9° |
| C30 | C31 | N32 | 107.3° | 107.6° |
| C30 | C31 | H311 | 126.3° | 126.2° |
| C39 | N38 | N32 | 107.4° | 108.6° |
| N38 | C39 | H391 | 126.1° | 126.0° |
| C31 | N32 | N38 | 110.0° | 108.3° |
| C31 | N32 | C33 | 125.3° | 125.8° |
| N32 | C31 | H311 | 126.4° | 126.2° |
| N38 | N32 | C33 | 124.7° | 125.9° |
| N32 | C33 | C34 | 112.3° | 109.5° |
| N32 | C33 | H332 | 108.8° | 109.5° |
| N32 | C33 | H331 | 108.8° | 109.5° |
| C37 | N35 | C36 | 109.2° | 111.0° |
| C37 | N35 | C34 | 109.9° | 111.0° |
| N35 | C37 | H372 | 109.5° | 109.5° |
| N35 | C37 | H371 | 109.5° | 109.5° |
| N35 | C37 | H373 | 109.4° | 109.5° |
| C36 | N35 | C34 | 109.7° | 111.0° |
| N35 | C36 | H362 | 109.5° | 109.4° |
| N35 | C36 | H363 | 109.5° | 109.5° |
| N35 | C36 | H361 | 109.5° | 109.5° |
| N35 | C34 | C33 | 110.8° | 109.5° |
| N35 | C34 | H341 | 109.1° | 109.5° |
| N35 | C34 | H342 | 109.1° | 109.5° |
| C34 | C33 | H332 | 108.8° | 109.5° |
| C34 | C33 | H331 | 108.8° | 109.5° |
| C33 | C34 | H341 | 109.1° | 109.4° |
| C33 | C34 | H342 | 109.1° | 109.4° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.4° |
| H371 | C37 | H373 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C20 | C19 | C18 | H191 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C18 | N17 | 179.9° | 180.0° |
| C20 | C19 | C18 | C24 | 0.3° | 0.2° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C24 | 0.0° | 0.2° |
| C20 | C21 | C22 | F23 | 180.0° | 179.8° |
| C21 | C20 | C19 | H191 | 179.8° | 180.0° |
| C19 | C18 | N17 | C24 | 179.5° | 179.8° |
| C19 | C18 | C24 | C22 | 0.3° | 0.4° |
| C19 | C18 | N17 | C16 | 49.6° | 146.5° |
| C18 | C19 | C20 | H201 | 179.8° | 180.0° |
| C19 | C18 | C24 | H241 | 179.7° | 179.8° |
| C19 | C18 | N17 | H171 | 130.4° | 33.5° |
| C21 | C22 | C24 | C18 | 0.1° | 0.4° |
| C21 | C22 | C24 | F23 | 180.0° | 179.6° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| C21 | C22 | C24 | H241 | 179.9° | 179.8° |
| N17 | C18 | C24 | C22 | 179.8° | 179.8° |
| C18 | N17 | C16 | H171 | 180.0° | 180.0° |
| C18 | N17 | C16 | C15 | 179.9° | 174.7° |
| C18 | N17 | C16 | O25 | 0.1° | 5.3° |
| N17 | C18 | C19 | H191 | 0.1° | 0.0° |
| N17 | C18 | C24 | H241 | 0.1° | 0.0° |
| C18 | C24 | C22 | H241 | 180.0° | 179.8° |
| C18 | C24 | C22 | F23 | 179.9° | 180.0° |
| C24 | C18 | N17 | C16 | 130.9° | 33.2° |
| C24 | C18 | C19 | H191 | 179.7° | 179.8° |
| C24 | C18 | N17 | H171 | 49.1° | 146.8° |
| C24 | C22 | C21 | H211 | 180.0° | 179.8° |
| F23 | C22 | C21 | H211 | 0.0° | 0.2° |
| F23 | C22 | C24 | H241 | 0.1° | 0.2° |
| N17 | C16 | C15 | O25 | 179.8° | 180.0° |
| N17 | C16 | C15 | C14 | 161.5° | 180.0° |
| N17 | C16 | C15 | H152 | 41.2° | 60.0° |
| N17 | C16 | C15 | H151 | 78.2° | 60.0° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C12 | C13 | C14 | C26 | 0.4° | 0.0° |
| C13 | C12 | C11 | N10 | 179.7° | 180.0° |
| C13 | C12 | C11 | C27 | 0.0° | 0.3° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 76.7° | 90.0° |
| C13 | C14 | C15 | C26 | 179.6° | 179.9° |
| C13 | C14 | C26 | C27 | 0.2° | 0.2° |
| C14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C13 | C14 | C15 | H152 | 43.6° | 30.0° |
| C13 | C14 | C15 | H151 | 162.9° | 150.0° |
| C13 | C14 | C26 | H261 | 179.8° | 179.7° |
| C12 | C11 | N10 | C27 | 179.7° | 179.7° |
| C12 | C11 | N10 | C09 | 131.2° | 33.6° |
| C12 | C11 | C27 | C26 | 0.1° | 0.6° |
| C11 | C12 | C13 | H131 | 179.8° | 180.0° |
| C12 | C11 | C27 | H271 | 179.8° | 179.7° |
| C12 | C11 | N10 | H101 | 48.8° | 146.4° |
| C16 | C15 | C14 | H152 | 120.3° | 120.0° |
| C16 | C15 | C14 | H151 | 120.4° | 120.1° |
| C16 | C15 | C14 | C26 | 102.8° | 90.0° |
| C16 | C15 | H152 | H151 | 119.0° | 120.1° |
| C15 | C16 | N17 | H171 | 0.1° | 5.3° |
| O25 | C16 | C15 | C14 | 18.7° | 0.0° |
| O25 | C16 | C15 | H152 | 139.1° | 120.0° |
| O25 | C16 | C15 | H151 | 101.6° | 120.0° |
| O25 | C16 | N17 | H171 | 179.9° | 174.7° |
| C15 | C14 | C26 | C27 | 179.8° | 179.7° |
| C15 | C14 | C13 | H131 | 0.1° | 0.1° |
| C14 | C15 | H152 | H151 | 119.0° | 120.0° |
| C15 | C14 | C26 | H261 | 0.2° | 0.2° |
| C14 | C26 | C27 | C11 | 0.0° | 0.5° |
| C14 | C26 | C27 | H261 | 180.0° | 179.5° |
| C26 | C14 | C13 | H131 | 179.7° | 180.0° |
| C26 | C14 | C15 | H152 | 136.8° | 150.0° |
| C26 | C14 | C15 | H151 | 17.5° | 30.1° |
| C14 | C26 | C27 | H271 | 180.0° | 179.7° |
| C01 | C02 | C41 | N03 | 179.8° | 179.7° |
| C01 | C02 | C41 | C05 | 180.0° | 180.0° |
| C01 | C02 | N03 | N04 | 180.0° | 180.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C41 | H411 | 0.0° | 0.1° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| N10 | C11 | C27 | C26 | 179.8° | 179.7° |
| C11 | N10 | C09 | N08 | 19.2° | 5.5° |
| C11 | N10 | C09 | N28 | 160.9° | 175.2° |
| N10 | C11 | C12 | H121 | 0.3° | 0.0° |
| N10 | C11 | C27 | H271 | 0.1° | 0.0° |
| C27 | C11 | N10 | C09 | 49.1° | 146.7° |
| C11 | C27 | C26 | H271 | 180.0° | 179.7° |
| C27 | C11 | C12 | H121 | 180.0° | 179.7° |
| C11 | C27 | C26 | H261 | 180.0° | 180.0° |
| C27 | C11 | N10 | H101 | 130.9° | 33.3° |
| N10 | C09 | N08 | N28 | 179.9° | 179.2° |
| N10 | C09 | N08 | C07 | 179.5° | 180.0° |
| N10 | C09 | N28 | C29 | 179.7° | 179.8° |
| C02 | C41 | C05 | H411 | 180.0° | 179.9° |
| C41 | C02 | N03 | N04 | 0.2° | 0.3° |
| C02 | C41 | C05 | N06 | 179.9° | 179.8° |
| C02 | C41 | C05 | N04 | 0.1° | 0.2° |
| C41 | C02 | C01 | H013 | 179.8° | 90.1° |
| C41 | C02 | C01 | H012 | 59.8° | 150.0° |
| C41 | C02 | C01 | H011 | 60.2° | 30.0° |
| N03 | C02 | C41 | C05 | 0.2° | 0.3° |
| C02 | N03 | N04 | C05 | 0.2° | 0.2° |
| N03 | C02 | C01 | H013 | 0.0° | 90.3° |
| N03 | C02 | C01 | H012 | 120.0° | 29.7° |
| N03 | C02 | C01 | H011 | 120.0° | 149.7° |
| N03 | C02 | C41 | H411 | 179.8° | 179.8° |
| C02 | N03 | N04 | H041 | 179.8° | 179.9° |
| C41 | C05 | N04 | N03 | 0.1° | 0.0° |
| C41 | C05 | N06 | N04 | 179.9° | 179.9° |
| C41 | C05 | N06 | C07 | 15.9° | 24.9° |
| C41 | C05 | N04 | H041 | 179.9° | 180.0° |
| C41 | C05 | N06 | H061 | 164.1° | 155.2° |
| N08 | C09 | N28 | C29 | 0.2° | 0.6° |
| C09 | N08 | C07 | N06 | 179.9° | 179.4° |
| C09 | N08 | C07 | C40 | 0.6° | 0.5° |
| N08 | C09 | N10 | H101 | 160.8° | 174.5° |
| N28 | C09 | N08 | C07 | 0.4° | 0.8° |
| C09 | N28 | C29 | C40 | 0.2° | 0.1° |
| C09 | N28 | C29 | C30 | 179.6° | 179.7° |
| N28 | C09 | N10 | H101 | 19.1° | 4.8° |
| N08 | C07 | N06 | C05 | 2.0° | 167.9° |
| N08 | C07 | N06 | C40 | 179.3° | 179.9° |
| N08 | C07 | C40 | C29 | 0.5° | 0.0° |
| N08 | C07 | C40 | H401 | 179.5° | 180.0° |
| N08 | C07 | N06 | H061 | 178.0° | 12.2° |
| N28 | C29 | C40 | C07 | 0.3° | 0.2° |
| N28 | C29 | C40 | C30 | 179.4° | 179.8° |
| N28 | C29 | C30 | C39 | 20.3° | 175.2° |
| N28 | C29 | C30 | C31 | 159.7° | 5.0° |
| N28 | C29 | C40 | H401 | 179.7° | 179.8° |
| N03 | N04 | C05 | N06 | 180.0° | 180.0° |
| N03 | N04 | C05 | H041 | 180.0° | 179.9° |
| C05 | N06 | C07 | H061 | 180.0° | 179.9° |
| C05 | N06 | C07 | C40 | 178.7° | 12.1° |
| N06 | C05 | C41 | H411 | 0.1° | 0.1° |
| N06 | C05 | N04 | H041 | 0.0° | 0.1° |
| N04 | C05 | N06 | C07 | 164.1° | 155.2° |
| N04 | C05 | C41 | H411 | 180.0° | 179.9° |
| N04 | C05 | N06 | H061 | 15.9° | 24.8° |
| N06 | C07 | C40 | C29 | 179.8° | 179.9° |
| N06 | C07 | C40 | H401 | 0.2° | 0.1° |
| C07 | C40 | C29 | H401 | 180.0° | 180.0° |
| C07 | C40 | C29 | C30 | 179.7° | 180.0° |
| C40 | C07 | N06 | H061 | 1.3° | 167.9° |
| C40 | C29 | C30 | C39 | 159.1° | 5.0° |
| C40 | C29 | C30 | C31 | 20.9° | 174.7° |
| C29 | C30 | C39 | C31 | 180.0° | 179.8° |
| C29 | C30 | C39 | N38 | 179.9° | 180.0° |
| C29 | C30 | C31 | N32 | 179.9° | 180.0° |
| C29 | C30 | C31 | H311 | 0.1° | 0.1° |
| C29 | C30 | C39 | H391 | 0.2° | 0.0° |
| C30 | C29 | C40 | H401 | 0.3° | 0.0° |
| C30 | C39 | N38 | H391 | 180.0° | 179.9° |
| C39 | C30 | C31 | N32 | 0.1° | 0.2° |
| C30 | C39 | N38 | N32 | 0.1° | 0.1° |
| C39 | C30 | C31 | H311 | 179.9° | 179.8° |
| C31 | C30 | C39 | N38 | 0.1° | 0.2° |
| C30 | C31 | N32 | H311 | 180.0° | 179.9° |
| C30 | C31 | N32 | N38 | 0.0° | 0.2° |
| C30 | C31 | N32 | C33 | 179.7° | 179.9° |
| C31 | C30 | C39 | H391 | 179.8° | 179.7° |
| C39 | N38 | N32 | C31 | 0.1° | 0.0° |
| C39 | N38 | N32 | C33 | 179.8° | 179.8° |
| C31 | N32 | N38 | C33 | 179.7° | 179.8° |
| C31 | N32 | C33 | C34 | 160.4° | 125.0° |
| C31 | N32 | C33 | H332 | 79.2° | 5.0° |
| C31 | N32 | C33 | H331 | 40.0° | 115.0° |
| N38 | N32 | C33 | C34 | 20.0° | 54.8° |
| N38 | N32 | C31 | H311 | 180.0° | 179.9° |
| N38 | N32 | C33 | H332 | 100.5° | 174.8° |
| N38 | N32 | C33 | H331 | 140.4° | 65.2° |
| N32 | N38 | C39 | H391 | 179.8° | 179.8° |
| N32 | C33 | C34 | N35 | 105.5° | 180.0° |
| N32 | C33 | C34 | H332 | 120.4° | 120.0° |
| N32 | C33 | C34 | H331 | 120.4° | 120.0° |
| C33 | N32 | C31 | H311 | 0.3° | 0.1° |
| N32 | C33 | H332 | H331 | 118.7° | 120.0° |
| N32 | C33 | C34 | H341 | 14.7° | 60.0° |
| N32 | C33 | C34 | H342 | 134.3° | 60.0° |
| C37 | N35 | C36 | C34 | 120.5° | 124.0° |
| C37 | N35 | C34 | C33 | 83.1° | 66.0° |
| C37 | N35 | C34 | H341 | 156.7° | 174.0° |
| C37 | N35 | C34 | H342 | 37.1° | 54.0° |
| C37 | N35 | C36 | H362 | 180.0° | 56.1° |
| C37 | N35 | C36 | H363 | 60.0° | 176.0° |
| C37 | N35 | C36 | H361 | 60.0° | 64.0° |
| N35 | C37 | H372 | H371 | 120.0° | 120.0° |
| N35 | C37 | H372 | H373 | 120.0° | 120.0° |
| N35 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | N35 | C34 | C33 | 156.8° | 170.0° |
| C36 | N35 | C34 | H341 | 36.6° | 50.0° |
| C36 | N35 | C34 | H342 | 83.0° | 70.0° |
| N35 | C36 | H362 | H363 | 120.0° | 119.9° |
| N35 | C36 | H362 | H361 | 120.0° | 120.0° |
| N35 | C36 | H363 | H361 | 120.0° | 120.0° |
| C36 | N35 | C37 | H372 | 180.0° | 60.0° |
| C36 | N35 | C37 | H371 | 60.0° | 180.0° |
| C36 | N35 | C37 | H373 | 60.0° | 60.0° |
| N35 | C34 | C33 | H341 | 120.2° | 120.0° |
| N35 | C34 | C33 | H342 | 120.2° | 120.0° |
| N35 | C34 | C33 | H332 | 14.9° | 60.0° |
| N35 | C34 | C33 | H331 | 134.1° | 60.0° |
| N35 | C34 | H341 | H342 | 119.4° | 120.0° |
| C34 | N35 | C36 | H362 | 59.5° | 180.0° |
| C34 | N35 | C36 | H363 | 179.5° | 60.0° |
| C34 | N35 | C36 | H361 | 60.5° | 60.0° |
| C34 | N35 | C37 | H372 | 59.6° | 64.0° |
| C34 | N35 | C37 | H371 | 60.4° | 56.1° |
| C34 | N35 | C37 | H373 | 179.6° | 176.0° |
| C34 | C33 | H332 | H331 | 118.7° | 120.0° |
| C33 | C34 | H341 | H342 | 119.4° | 119.9° |
| H121 | C12 | C13 | H131 | 0.2° | 0.0° |
| H191 | C19 | C20 | H201 | 0.2° | 0.0° |
| H261 | C26 | C27 | H271 | 0.0° | 0.2° |
| H332 | C33 | C34 | H341 | 135.1° | 60.0° |
| H332 | C33 | C34 | H342 | 105.3° | 180.0° |
| H331 | C33 | C34 | H341 | 105.8° | 180.0° |
| H331 | C33 | C34 | H342 | 13.9° | 60.0° |
| H362 | C36 | H363 | H361 | 120.0° | 120.0° |
| H372 | C37 | H371 | H373 | 120.0° | 119.9° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H201 | C20 | C21 | H211 | 0.1° | 0.0° |
