YNY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C34 | sing | 1.43Å | 1.41Å | |
| O33 | C32 | sing | 1.36Å | 1.37Å | |
| N17 | C18 | doub | 1.32Å | 1.36Å | Aromatic |
| N17 | C16 | sing | 1.34Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.33Å | 1.37Å | Aromatic |
| O36 | C35 | sing | 1.36Å | 1.36Å | |
| O36 | C37 | sing | 1.43Å | 1.40Å | |
| C32 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C29 | sing | 1.40Å | 1.43Å | Aromatic |
| O30 | C29 | sing | 1.36Å | 1.37Å | |
| O30 | C31 | sing | 1.43Å | 1.42Å | |
| C35 | C38 | sing | 1.39Å | 1.41Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.41Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| N15 | C14 | sing | 1.37Å | 1.37Å | |
| C16 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| C16 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C38 | N39 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C27 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | N13 | sing | 1.34Å | 1.36Å | Aromatic |
| C20 | N11 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| N39 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.42Å | 1.43Å | Aromatic |
| N13 | C12 | doub | 1.31Å | 1.31Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.35Å | Aromatic |
| C25 | C23 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.34Å | 1.39Å | Aromatic |
| N11 | C10 | sing | 1.46Å | 1.49Å | |
| C23 | O24 | doub | 1.22Å | 1.21Å | |
| C23 | N22 | sing | 1.35Å | 1.42Å | |
| C10 | C09 | sing | 1.53Å | 1.62Å | |
| C21 | N22 | sing | 1.47Å | 1.51Å | |
| C21 | C09 | sing | 1.54Å | 1.55Å | |
| N22 | C40 | sing | 1.40Å | 1.39Å | |
| C09 | C08 | sing | 1.51Å | 1.48Å | |
| C40 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C41 | sing | 1.40Å | 1.43Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.37Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.42Å | 1.42Å | Aromatic |
| C07 | C44 | doub | 1.41Å | 1.43Å | Aromatic |
| C42 | C44 | sing | 1.40Å | 1.39Å | Aromatic |
| C42 | O43 | sing | 1.36Å | 1.40Å | |
| C06 | C05 | doub | 1.36Å | 1.38Å | Aromatic |
| C44 | N45 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | N45 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C03 | sing | 1.47Å | 1.48Å | |
| C01 | O02 | sing | 1.45Å | 1.42Å | |
| C03 | O02 | sing | 1.35Å | 1.34Å | |
| C03 | O04 | doub | 1.22Å | 1.23Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | 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 | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| O43 | H431 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | O33 | C32 | 117.8° | 117.0° |
| O33 | C34 | H343 | 109.5° | 109.5° |
| O33 | C34 | H341 | 109.4° | 109.4° |
| O33 | C34 | H342 | 109.5° | 109.5° |
| O33 | C32 | C35 | 116.5° | 119.7° |
| O33 | C32 | C29 | 124.1° | 119.8° |
| C18 | N17 | C16 | 103.8° | 108.2° |
| N17 | C18 | N19 | 116.5° | 110.2° |
| N17 | C18 | H181 | 121.7° | 124.9° |
| N17 | C16 | C14 | 131.6° | 135.2° |
| N17 | C16 | C20 | 107.9° | 106.4° |
| C18 | N19 | C20 | 102.3° | 108.7° |
| N19 | C18 | H181 | 121.7° | 124.9° |
| C35 | O36 | C37 | 114.7° | 117.0° |
| O36 | C35 | C32 | 123.0° | 120.1° |
| O36 | C35 | C38 | 117.7° | 120.0° |
| O36 | C37 | H372 | 109.5° | 109.5° |
| O36 | C37 | H371 | 109.5° | 109.4° |
| O36 | C37 | H373 | 109.4° | 109.5° |
| C35 | C32 | C29 | 119.4° | 120.5° |
| C32 | C35 | C38 | 119.3° | 119.9° |
| C32 | C29 | O30 | 119.8° | 119.9° |
| C32 | C29 | C28 | 121.3° | 120.4° |
| C29 | O30 | C31 | 115.2° | 117.0° |
| O30 | C29 | C28 | 119.0° | 119.8° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.4° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| C35 | C38 | N39 | 132.5° | 133.0° |
| C35 | C38 | C27 | 120.4° | 119.7° |
| N19 | C20 | C16 | 109.5° | 106.5° |
| N19 | C20 | N11 | 130.6° | 135.1° |
| C29 | C28 | C27 | 119.5° | 119.8° |
| C29 | C28 | H281 | 120.3° | 120.1° |
| N15 | C14 | C16 | 123.6° | 120.4° |
| N15 | C14 | N13 | 117.9° | 120.5° |
| C14 | N15 | H151 | 109.5° | 120.0° |
| C14 | N15 | H152 | 109.4° | 120.0° |
| C14 | C16 | C20 | 120.5° | 118.4° |
| C16 | C14 | N13 | 118.5° | 119.1° |
| C16 | C20 | N11 | 119.9° | 118.4° |
| N39 | C38 | C27 | 107.1° | 107.4° |
| C38 | N39 | C25 | 108.7° | 108.7° |
| C38 | N39 | H391 | 125.6° | 125.7° |
| C38 | C27 | C28 | 120.2° | 119.8° |
| C38 | C27 | C26 | 107.4° | 107.0° |
| C14 | N13 | C12 | 119.1° | 122.0° |
| C20 | N11 | C12 | 114.9° | 119.8° |
| C20 | N11 | C10 | 122.4° | 120.1° |
| C28 | C27 | C26 | 132.4° | 133.2° |
| C27 | C28 | H281 | 120.3° | 120.1° |
| N39 | C25 | C26 | 109.3° | 109.1° |
| N39 | C25 | C23 | 123.6° | 125.5° |
| C25 | N39 | H391 | 125.6° | 125.6° |
| C27 | C26 | C25 | 107.4° | 107.8° |
| C27 | C26 | H261 | 126.3° | 126.1° |
| N13 | C12 | N11 | 127.1° | 122.3° |
| N13 | C12 | H121 | 116.4° | 118.8° |
| C26 | C25 | C23 | 127.0° | 125.4° |
| C25 | C26 | H261 | 126.3° | 126.1° |
| C25 | C23 | O24 | 115.2° | 120.0° |
| C25 | C23 | N22 | 129.3° | 120.0° |
| C12 | N11 | C10 | 122.6° | 120.1° |
| N11 | C12 | H121 | 116.5° | 118.8° |
| N11 | C10 | C09 | 113.5° | 109.5° |
| N11 | C10 | H101 | 108.5° | 109.5° |
| N11 | C10 | H102 | 108.4° | 109.5° |
| O24 | C23 | N22 | 115.4° | 120.0° |
| C23 | N22 | C21 | 123.5° | 125.0° |
| C23 | N22 | C40 | 129.6° | 125.0° |
| C10 | C09 | C21 | 114.2° | 110.4° |
| C10 | C09 | C08 | 107.4° | 110.4° |
| C09 | C10 | H101 | 108.4° | 109.5° |
| C09 | C10 | H102 | 108.5° | 109.5° |
| C10 | C09 | H091 | 109.9° | 110.4° |
| N22 | C21 | C09 | 106.3° | 105.0° |
| C21 | N22 | C40 | 106.5° | 110.0° |
| N22 | C21 | H211 | 110.3° | 110.4° |
| N22 | C21 | H212 | 110.3° | 110.4° |
| C21 | C09 | C08 | 102.5° | 104.6° |
| C09 | C21 | H211 | 110.2° | 110.3° |
| C09 | C21 | H212 | 110.2° | 110.3° |
| C21 | C09 | H091 | 110.8° | 110.4° |
| N22 | C40 | C08 | 113.0° | 111.7° |
| N22 | C40 | C41 | 124.6° | 128.9° |
| C09 | C08 | C40 | 111.1° | 108.7° |
| C09 | C08 | C07 | 128.7° | 131.0° |
| C08 | C09 | H091 | 111.9° | 110.5° |
| C08 | C40 | C41 | 122.3° | 119.4° |
| C40 | C08 | C07 | 120.2° | 120.3° |
| C40 | C41 | C42 | 117.7° | 121.0° |
| C40 | C41 | H411 | 121.2° | 119.5° |
| C08 | C07 | C06 | 135.0° | 133.1° |
| C08 | C07 | C44 | 118.5° | 119.9° |
| C41 | C42 | C44 | 119.8° | 120.1° |
| C41 | C42 | O43 | 121.9° | 120.0° |
| C42 | C41 | H411 | 121.1° | 119.5° |
| C06 | C07 | C44 | 106.5° | 107.0° |
| C07 | C06 | C05 | 107.9° | 107.7° |
| C07 | C06 | H061 | 126.0° | 126.1° |
| C07 | C44 | C42 | 121.5° | 119.3° |
| C07 | C44 | N45 | 108.2° | 107.5° |
| C44 | C42 | O43 | 118.3° | 120.0° |
| C42 | C44 | N45 | 130.2° | 133.2° |
| C42 | O43 | H431 | 109.5° | 114.0° |
| C06 | C05 | N45 | 109.3° | 109.1° |
| C06 | C05 | C03 | 126.6° | 125.4° |
| C05 | C06 | H061 | 126.0° | 126.1° |
| C44 | N45 | C05 | 108.0° | 108.7° |
| C44 | N45 | H451 | 126.0° | 125.7° |
| N45 | C05 | C03 | 124.0° | 125.4° |
| C05 | N45 | H451 | 126.0° | 125.6° |
| C05 | C03 | O02 | 117.7° | 120.1° |
| C05 | C03 | O04 | 122.0° | 120.0° |
| C01 | O02 | C03 | 122.4° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.4° |
| O02 | C03 | O04 | 120.3° | 119.9° |
| H211 | C21 | H212 | 109.5° | 110.3° |
| H101 | C10 | H102 | 109.4° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H343 | C34 | H341 | 109.5° | 109.5° |
| H343 | C34 | H342 | 109.4° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.4° |
| H151 | N15 | H152 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | O33 | C32 | C35 | 128.5° | 90.0° |
| C34 | O33 | C32 | C29 | 51.4° | 90.0° |
| O33 | C34 | H343 | H341 | 120.0° | 119.9° |
| O33 | C34 | H343 | H342 | 120.0° | 120.1° |
| O33 | C34 | H341 | H342 | 120.0° | 120.0° |
| O33 | C32 | C35 | O36 | 0.3° | 0.0° |
| O33 | C32 | C35 | C29 | 179.9° | 180.0° |
| O33 | C32 | C29 | O30 | 0.4° | 0.0° |
| O33 | C32 | C35 | C38 | 179.6° | 180.0° |
| O33 | C32 | C29 | C28 | 179.8° | 180.0° |
| C32 | O33 | C34 | H343 | 180.0° | 60.0° |
| C32 | O33 | C34 | H341 | 60.0° | 60.0° |
| C32 | O33 | C34 | H342 | 60.0° | 180.0° |
| N17 | C18 | N19 | H181 | 180.0° | 179.6° |
| N17 | C18 | N19 | C20 | 0.7° | 0.4° |
| C18 | N17 | C16 | C14 | 178.8° | 180.0° |
| C18 | N17 | C16 | C20 | 1.0° | 0.1° |
| C16 | N17 | C18 | N19 | 1.1° | 0.2° |
| N17 | C16 | C20 | N19 | 0.6° | 0.3° |
| N17 | C16 | C14 | N15 | 1.2° | 0.0° |
| N17 | C16 | C14 | C20 | 179.7° | 179.9° |
| N17 | C16 | C14 | N13 | 179.7° | 180.0° |
| N17 | C16 | C20 | N11 | 179.9° | 180.0° |
| C16 | N17 | C18 | H181 | 178.9° | 179.8° |
| C18 | N19 | C20 | C16 | 0.0° | 0.4° |
| C18 | N19 | C20 | N11 | 179.1° | 179.9° |
| O36 | C35 | C32 | C38 | 179.3° | 180.0° |
| O36 | C35 | C32 | C29 | 179.8° | 180.0° |
| O36 | C35 | C38 | N39 | 0.5° | 0.3° |
| O36 | C35 | C38 | C27 | 179.8° | 180.0° |
| C35 | O36 | C37 | H372 | 180.0° | 55.1° |
| C35 | O36 | C37 | H371 | 60.0° | 64.9° |
| C35 | O36 | C37 | H373 | 60.0° | 175.1° |
| C37 | O36 | C35 | C32 | 104.5° | 93.9° |
| C37 | O36 | C35 | C38 | 76.2° | 86.1° |
| O36 | C37 | H372 | H371 | 120.0° | 120.0° |
| O36 | C37 | H372 | H373 | 120.0° | 120.0° |
| O36 | C37 | H371 | H373 | 120.0° | 119.9° |
| C35 | C32 | C29 | O30 | 179.5° | 180.0° |
| C35 | C32 | C29 | C28 | 0.1° | 0.0° |
| C32 | C35 | C38 | N39 | 179.9° | 179.7° |
| C32 | C35 | C38 | C27 | 0.8° | 0.0° |
| C32 | C29 | O30 | C28 | 179.4° | 180.0° |
| C32 | C29 | O30 | C31 | 120.1° | 180.0° |
| C29 | C32 | C35 | C38 | 0.5° | 0.0° |
| C32 | C29 | C28 | C27 | 0.4° | 0.0° |
| C32 | C29 | C28 | H281 | 179.6° | 180.0° |
| O30 | C29 | C28 | C27 | 179.8° | 180.0° |
| O30 | C29 | C28 | H281 | 0.2° | 0.0° |
| C29 | O30 | C31 | H311 | 180.0° | 180.0° |
| C29 | O30 | C31 | H312 | 60.0° | 60.0° |
| C29 | O30 | C31 | H313 | 60.0° | 60.0° |
| C31 | O30 | C29 | C28 | 59.3° | 0.0° |
| O30 | C31 | H311 | H312 | 120.0° | 119.9° |
| O30 | C31 | H311 | H313 | 120.0° | 120.0° |
| O30 | C31 | H312 | H313 | 120.0° | 120.0° |
| C35 | C38 | N39 | C27 | 179.4° | 179.7° |
| C35 | C38 | C27 | C28 | 0.5° | 0.0° |
| C35 | C38 | N39 | C25 | 179.9° | 179.9° |
| C35 | C38 | C27 | C26 | 179.7° | 180.0° |
| C35 | C38 | N39 | H391 | 0.1° | 0.0° |
| N19 | C20 | C16 | C14 | 179.2° | 179.8° |
| N19 | C20 | C16 | N11 | 179.3° | 179.8° |
| N19 | C20 | N11 | C12 | 179.2° | 179.7° |
| N19 | C20 | N11 | C10 | 3.2° | 0.3° |
| C20 | N19 | C18 | H181 | 179.3° | 180.0° |
| C29 | C28 | C27 | C38 | 0.1° | 0.0° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 179.6° | 180.0° |
| N15 | C14 | C16 | N13 | 179.1° | 180.0° |
| N15 | C14 | C16 | C20 | 179.1° | 179.9° |
| N15 | C14 | N13 | C12 | 178.8° | 180.0° |
| C14 | N15 | H151 | H152 | 120.0° | 180.0° |
| C14 | C16 | C20 | N11 | 0.1° | 0.0° |
| C16 | C14 | N13 | C12 | 0.4° | 0.0° |
| C16 | C14 | N15 | H151 | 179.1° | 0.0° |
| C16 | C14 | N15 | H152 | 59.1° | 180.0° |
| C20 | C16 | C14 | N13 | 0.0° | 0.1° |
| C16 | C20 | N11 | C12 | 0.1° | 0.0° |
| C16 | C20 | N11 | C10 | 177.7° | 180.0° |
| N39 | C38 | C27 | C28 | 180.0° | 179.8° |
| C38 | N39 | C25 | H391 | 180.0° | 179.8° |
| N39 | C38 | C27 | C26 | 0.2° | 0.2° |
| C38 | N39 | C25 | C26 | 0.6° | 0.4° |
| C38 | N39 | C25 | C23 | 178.5° | 179.9° |
| C38 | C27 | C28 | C26 | 179.7° | 180.0° |
| C27 | C38 | N39 | C25 | 0.5° | 0.4° |
| C38 | C27 | C26 | C25 | 0.1° | 0.0° |
| C38 | C27 | C26 | H261 | 179.8° | 180.0° |
| C38 | C27 | C28 | H281 | 179.9° | 180.0° |
| C27 | C38 | N39 | H391 | 179.5° | 179.8° |
| C14 | N13 | C12 | N11 | 0.6° | 0.0° |
| C14 | N13 | C12 | H121 | 179.4° | 180.0° |
| N13 | C14 | N15 | H151 | 0.0° | 180.0° |
| N13 | C14 | N15 | H152 | 120.0° | 0.0° |
| C20 | N11 | C12 | N13 | 0.5° | 0.0° |
| C20 | N11 | C12 | C10 | 177.6° | 180.0° |
| C20 | N11 | C10 | C09 | 100.0° | 98.6° |
| C20 | N11 | C10 | H101 | 139.4° | 21.4° |
| C20 | N11 | C10 | H102 | 20.6° | 141.4° |
| C20 | N11 | C12 | H121 | 179.5° | 180.0° |
| C28 | C27 | C26 | C25 | 179.6° | 180.0° |
| C28 | C27 | C26 | H261 | 0.4° | 0.0° |
| N39 | C25 | C26 | C27 | 0.4° | 0.3° |
| N39 | C25 | C26 | C23 | 177.8° | 179.7° |
| N39 | C25 | C23 | O24 | 13.2° | 172.7° |
| N39 | C25 | C23 | N22 | 169.3° | 7.4° |
| N39 | C25 | C26 | H261 | 179.5° | 179.8° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | C23 | 178.2° | 180.0° |
| C26 | C27 | C28 | H281 | 0.4° | 0.0° |
| N13 | C12 | N11 | H121 | 180.0° | 180.0° |
| N13 | C12 | N11 | C10 | 178.0° | 180.0° |
| C26 | C25 | C23 | O24 | 164.3° | 7.7° |
| C26 | C25 | C23 | N22 | 13.3° | 172.3° |
| C26 | C25 | N39 | H391 | 179.4° | 179.7° |
| C25 | C23 | O24 | N22 | 177.9° | 179.9° |
| C25 | C23 | N22 | C21 | 22.9° | 1.2° |
| C25 | C23 | N22 | C40 | 166.4° | 178.8° |
| C23 | C25 | C26 | H261 | 1.8° | 0.1° |
| C23 | C25 | N39 | H391 | 1.6° | 0.0° |
| C12 | N11 | C10 | C09 | 77.4° | 81.4° |
| C12 | N11 | C10 | H101 | 43.2° | 158.5° |
| C12 | N11 | C10 | H102 | 162.0° | 38.6° |
| N11 | C10 | C09 | H101 | 120.6° | 120.1° |
| N11 | C10 | C09 | H102 | 120.6° | 120.0° |
| N11 | C10 | C09 | C21 | 67.0° | 61.0° |
| N11 | C10 | C09 | C08 | 180.0° | 176.2° |
| N11 | C10 | H101 | H102 | 118.1° | 120.0° |
| N11 | C10 | C09 | H091 | 58.1° | 61.4° |
| C10 | N11 | C12 | H121 | 1.9° | 0.0° |
| O24 | C23 | N22 | C21 | 159.6° | 178.8° |
| O24 | C23 | N22 | C40 | 11.1° | 1.2° |
| C23 | N22 | C21 | C40 | 172.5° | 180.0° |
| C23 | N22 | C21 | C09 | 165.2° | 179.9° |
| C23 | N22 | C40 | C08 | 168.5° | 180.0° |
| C23 | N22 | C40 | C41 | 10.2° | 0.0° |
| C23 | N22 | C21 | H211 | 75.3° | 61.1° |
| C23 | N22 | C21 | H212 | 45.7° | 61.1° |
| C10 | C09 | C21 | N22 | 107.6° | 118.8° |
| C10 | C09 | C21 | C08 | 115.8° | 118.8° |
| C10 | C09 | C21 | H091 | 124.7° | 122.3° |
| C10 | C09 | C08 | H091 | 120.7° | 122.4° |
| C10 | C09 | C08 | C40 | 114.0° | 118.8° |
| C10 | C09 | C08 | C07 | 62.4° | 61.3° |
| C10 | C09 | C21 | H211 | 132.9° | 0.1° |
| C10 | C09 | C21 | H212 | 12.0° | 122.3° |
| C09 | C10 | H101 | H102 | 118.2° | 119.9° |
| N22 | C21 | C09 | H211 | 119.5° | 118.9° |
| N22 | C21 | C09 | H212 | 119.5° | 118.9° |
| N22 | C21 | C09 | C08 | 8.3° | 0.0° |
| C21 | N22 | C40 | C08 | 3.4° | 0.0° |
| C21 | N22 | C40 | C41 | 177.9° | 180.0° |
| N22 | C21 | H211 | H212 | 121.5° | 122.2° |
| N22 | C21 | C09 | H091 | 127.8° | 118.9° |
| C09 | C21 | N22 | C40 | 7.4° | 0.0° |
| C21 | C09 | C08 | H091 | 118.7° | 118.8° |
| C21 | C09 | C08 | C40 | 6.6° | 0.0° |
| C21 | C09 | C08 | C07 | 177.0° | 180.0° |
| C09 | C21 | H211 | H212 | 121.4° | 122.1° |
| C21 | C09 | C10 | H101 | 172.4° | 59.0° |
| C21 | C09 | C10 | H102 | 53.6° | 178.9° |
| N22 | C40 | C08 | C09 | 2.3° | 0.0° |
| N22 | C40 | C08 | C41 | 178.7° | 180.0° |
| N22 | C40 | C08 | C07 | 179.0° | 180.0° |
| N22 | C40 | C41 | C42 | 178.8° | 180.0° |
| C40 | N22 | C21 | H211 | 112.1° | 118.9° |
| C40 | N22 | C21 | H212 | 126.9° | 118.9° |
| N22 | C40 | C41 | H411 | 1.2° | 0.0° |
| C09 | C08 | C40 | C07 | 176.8° | 180.0° |
| C09 | C08 | C40 | C41 | 176.5° | 180.0° |
| C09 | C08 | C07 | C06 | 3.3° | 0.1° |
| C09 | C08 | C07 | C44 | 176.9° | 180.0° |
| C08 | C09 | C21 | H211 | 111.2° | 118.9° |
| C08 | C09 | C21 | H212 | 127.8° | 119.0° |
| C08 | C09 | C10 | H101 | 59.4° | 56.1° |
| C08 | C09 | C10 | H102 | 59.3° | 63.8° |
| C08 | C40 | C41 | C42 | 0.2° | 0.0° |
| C40 | C08 | C07 | C06 | 179.4° | 179.9° |
| C40 | C08 | C07 | C44 | 0.8° | 0.1° |
| C40 | C08 | C09 | H091 | 125.3° | 118.8° |
| C08 | C40 | C41 | H411 | 179.8° | 180.0° |
| C41 | C40 | C08 | C07 | 0.3° | 0.0° |
| C40 | C41 | C42 | H411 | 180.0° | 179.9° |
| C40 | C41 | C42 | C44 | 1.0° | 0.1° |
| C40 | C41 | C42 | O43 | 178.6° | 179.9° |
| C08 | C07 | C06 | C44 | 179.8° | 179.9° |
| C08 | C07 | C44 | C42 | 1.9° | 0.1° |
| C08 | C07 | C06 | C05 | 179.6° | 180.0° |
| C08 | C07 | C44 | N45 | 179.8° | 180.0° |
| C08 | C07 | C06 | H061 | 0.4° | 0.0° |
| C07 | C08 | C09 | H091 | 58.3° | 61.1° |
| C41 | C42 | C44 | C07 | 2.0° | 0.1° |
| C41 | C42 | C44 | O43 | 177.7° | 179.9° |
| C41 | C42 | C44 | N45 | 179.9° | 180.0° |
| C41 | C42 | O43 | H431 | 180.0° | 95.1° |
| C06 | C07 | C44 | C42 | 178.2° | 179.9° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C44 | N45 | 0.1° | 0.1° |
| C07 | C06 | C05 | N45 | 1.0° | 0.0° |
| C07 | C06 | C05 | C03 | 179.2° | 180.0° |
| C07 | C44 | C42 | N45 | 177.9° | 179.9° |
| C07 | C44 | C42 | O43 | 179.8° | 180.0° |
| C44 | C07 | C06 | C05 | 0.6° | 0.0° |
| C07 | C44 | N45 | C05 | 0.7° | 0.1° |
| C44 | C07 | C06 | H061 | 179.4° | 180.0° |
| C07 | C44 | N45 | H451 | 179.3° | 179.9° |
| C42 | C44 | N45 | C05 | 177.4° | 179.8° |
| C44 | C42 | C41 | H411 | 179.0° | 180.0° |
| C42 | C44 | N45 | H451 | 2.6° | 0.0° |
| C44 | C42 | O43 | H431 | 2.3° | 85.1° |
| O43 | C42 | C44 | N45 | 2.4° | 0.1° |
| O43 | C42 | C41 | H411 | 1.4° | 0.1° |
| C06 | C05 | N45 | C44 | 1.1° | 0.1° |
| C06 | C05 | N45 | C03 | 178.2° | 180.0° |
| C06 | C05 | C03 | O02 | 16.2° | 180.0° |
| C06 | C05 | C03 | O04 | 164.7° | 0.0° |
| C06 | C05 | N45 | H451 | 178.9° | 179.9° |
| C44 | N45 | C05 | H451 | 180.0° | 179.9° |
| C44 | N45 | C05 | C03 | 179.3° | 180.0° |
| N45 | C05 | C03 | O02 | 161.7° | 0.0° |
| N45 | C05 | C03 | O04 | 17.4° | 180.0° |
| N45 | C05 | C06 | H061 | 179.0° | 180.0° |
| C05 | C03 | O02 | C01 | 128.4° | 180.0° |
| C05 | C03 | O02 | O04 | 179.2° | 180.0° |
| C03 | C05 | C06 | H061 | 0.8° | 0.0° |
| C03 | C05 | N45 | H451 | 0.7° | 0.1° |
| C01 | O02 | C03 | O04 | 52.4° | 0.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C03 | O02 | C01 | H013 | 180.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| H211 | C21 | C09 | H091 | 8.3° | 122.2° |
| H212 | C21 | C09 | H091 | 112.7° | 0.1° |
| H101 | C10 | C09 | H091 | 62.5° | 178.6° |
| H102 | C10 | C09 | H091 | 178.7° | 58.7° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 119.9° | 120.0° |
| H343 | C34 | H341 | H342 | 119.9° | 120.0° |
| H372 | C37 | H371 | H373 | 120.0° | 120.0° |
