FR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.35Å | Aromatic |
| C1 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.48Å | 1.50Å | |
| C3 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | N5 | sing | 1.35Å | 1.43Å | |
| C4 | O6 | doub | 1.21Å | 1.22Å | |
| N5 | C37 | sing | 1.47Å | 1.48Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | O11 | doub | 1.22Å | 1.25Å | |
| C10 | N12 | sing | 1.35Å | 1.28Å | |
| N12 | C13 | sing | 1.47Å | 1.45Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C13 | C17 | sing | 1.51Å | 1.56Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | O18 | doub | 1.21Å | 1.24Å | |
| C17 | N19 | sing | 1.35Å | 1.37Å | |
| N19 | C20 | sing | 1.47Å | 1.53Å | |
| N19 | C23 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C20 | C24 | sing | 1.51Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.55Å | 1.56Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.28Å | |
| N26 | C27 | sing | 1.46Å | 1.48Å | |
| N26 | H26 | sing | 0.97Å | 1.02Å | |
| C27 | C28 | sing | 1.53Å | 1.59Å | |
| C27 | C31 | sing | 1.51Å | 1.59Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.48Å | |
| C28 | H28 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| C31 | O32 | doub | 1.21Å | 1.36Å | |
| C31 | C33 | sing | 1.51Å | 1.61Å | |
| C33 | F34 | sing | 1.40Å | 1.18Å | |
| C33 | F35 | sing | 1.40Å | 1.28Å | |
| C33 | F36 | sing | 1.40Å | 1.27Å | |
| C37 | C38 | sing | 1.51Å | 1.57Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | O39 | doub | 1.21Å | 1.27Å | |
| C38 | O40 | sing | 1.34Å | 1.25Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C9 | 119.0° | 120.0° |
| C2 | C1 | HC1 | 119.5° | 119.9° |
| C1 | C2 | C3 | 123.6° | 120.0° |
| C1 | C2 | HC2 | 116.7° | 120.0° |
| C9 | C1 | HC1 | 121.5° | 120.0° |
| C1 | C9 | C8 | 118.1° | 120.0° |
| C1 | C9 | C10 | 122.8° | 120.0° |
| C3 | C2 | HC2 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | C7 | 119.1° | 120.0° |
| C4 | C3 | C7 | 120.0° | 120.0° |
| C3 | C4 | N5 | 122.0° | 120.0° |
| C3 | C4 | O6 | 118.2° | 120.0° |
| C3 | C7 | C8 | 117.7° | 120.0° |
| C3 | C7 | HC7 | 120.1° | 120.0° |
| N5 | C4 | O6 | 119.8° | 120.0° |
| C4 | N5 | C37 | 114.0° | 120.0° |
| C4 | N5 | HN5 | 121.6° | 120.1° |
| C37 | N5 | HN5 | 124.3° | 120.0° |
| N5 | C37 | C38 | 130.4° | 109.5° |
| N5 | C37 | H371 | 104.9° | 109.5° |
| N5 | C37 | H372 | 104.9° | 109.5° |
| C8 | C7 | HC7 | 122.2° | 120.0° |
| C7 | C8 | C9 | 122.5° | 120.0° |
| C7 | C8 | HC8 | 118.7° | 120.0° |
| C9 | C8 | HC8 | 118.9° | 120.0° |
| C8 | C9 | C10 | 119.1° | 120.0° |
| C9 | C10 | O11 | 129.3° | 120.0° |
| C9 | C10 | N12 | 112.3° | 120.0° |
| O11 | C10 | N12 | 118.1° | 120.0° |
| C10 | N12 | C13 | 117.6° | 120.0° |
| C10 | N12 | H12 | 115.3° | 120.0° |
| C13 | N12 | H12 | 127.1° | 120.0° |
| N12 | C13 | C14 | 113.4° | 109.5° |
| N12 | C13 | C17 | 107.8° | 109.5° |
| N12 | C13 | H13 | 106.4° | 109.5° |
| C14 | C13 | C17 | 104.2° | 109.5° |
| C14 | C13 | H13 | 109.9° | 109.4° |
| C13 | C14 | C15 | 109.6° | 109.4° |
| C13 | C14 | C16 | 118.9° | 109.5° |
| C13 | C14 | H14 | 101.7° | 109.5° |
| C17 | C13 | H13 | 115.3° | 109.5° |
| C13 | C17 | O18 | 121.7° | 120.0° |
| C13 | C17 | N19 | 118.2° | 120.0° |
| C15 | C14 | C16 | 106.4° | 109.4° |
| C15 | C14 | H14 | 115.3° | 109.5° |
| C14 | C15 | H151 | 112.2° | 109.5° |
| C14 | C15 | H152 | 109.6° | 109.5° |
| C14 | C15 | H153 | 112.1° | 109.5° |
| C16 | C14 | H14 | 105.2° | 109.5° |
| C14 | C16 | H161 | 108.8° | 109.5° |
| C14 | C16 | H162 | 118.9° | 109.4° |
| C14 | C16 | H163 | 108.8° | 109.5° |
| H151 | C15 | H152 | 112.2° | 109.5° |
| H151 | C15 | H153 | 98.2° | 109.4° |
| H152 | C15 | H153 | 112.2° | 109.4° |
| H161 | C16 | H162 | 108.8° | 109.5° |
| H161 | C16 | H163 | 101.3° | 109.5° |
| H162 | C16 | H163 | 108.8° | 109.4° |
| O18 | C17 | N19 | 120.1° | 120.0° |
| C17 | N19 | C20 | 119.8° | 125.7° |
| C17 | N19 | C23 | 124.8° | 125.6° |
| C20 | N19 | C23 | 115.4° | 108.7° |
| N19 | C20 | C21 | 102.1° | 107.3° |
| N19 | C20 | C24 | 118.2° | 110.3° |
| N19 | C20 | H20 | 107.4° | 109.6° |
| N19 | C23 | C22 | 101.5° | 104.8° |
| N19 | C23 | H231 | 115.2° | 110.4° |
| N19 | C23 | H232 | 115.2° | 110.4° |
| C21 | C20 | C24 | 104.7° | 109.9° |
| C21 | C20 | H20 | 120.4° | 109.9° |
| C20 | C21 | C22 | 104.4° | 103.0° |
| C20 | C21 | H211 | 114.1° | 110.8° |
| C20 | C21 | H212 | 114.1° | 110.5° |
| C24 | C20 | H20 | 104.9° | 109.8° |
| C20 | C24 | O25 | 120.7° | 119.9° |
| C20 | C24 | N26 | 118.8° | 120.0° |
| C22 | C21 | H211 | 114.1° | 110.7° |
| C22 | C21 | H212 | 114.1° | 110.7° |
| C21 | C22 | C23 | 107.3° | 101.6° |
| C21 | C22 | H221 | 113.0° | 111.0° |
| C21 | C22 | H222 | 113.0° | 111.0° |
| H211 | C21 | H212 | 96.4° | 110.8° |
| C23 | C22 | H221 | 113.0° | 111.0° |
| C23 | C22 | H222 | 113.0° | 111.0° |
| C22 | C23 | H231 | 115.2° | 110.4° |
| C22 | C23 | H232 | 115.3° | 110.3° |
| H221 | C22 | H222 | 97.4° | 111.0° |
| H231 | C23 | H232 | 95.2° | 110.4° |
| O25 | C24 | N26 | 120.3° | 120.1° |
| C24 | N26 | C27 | 118.3° | 120.0° |
| C24 | N26 | H26 | 113.7° | 120.0° |
| C27 | N26 | H26 | 127.9° | 120.0° |
| N26 | C27 | C28 | 107.1° | 109.5° |
| N26 | C27 | C31 | 108.6° | 109.5° |
| N26 | C27 | H27 | 118.9° | 109.5° |
| C28 | C27 | C31 | 124.5° | 109.5° |
| C28 | C27 | H27 | 100.0° | 109.4° |
| C27 | C28 | C29 | 107.5° | 109.4° |
| C27 | C28 | C30 | 113.9° | 109.5° |
| C27 | C28 | H28 | 107.4° | 109.4° |
| C31 | C27 | H27 | 98.2° | 109.5° |
| C27 | C31 | O32 | 109.9° | 120.0° |
| C27 | C31 | C33 | 110.0° | 120.0° |
| C29 | C28 | C30 | 107.8° | 109.5° |
| C29 | C28 | H28 | 113.5° | 109.4° |
| C28 | C29 | H291 | 112.9° | 109.5° |
| C28 | C29 | H292 | 107.5° | 109.5° |
| C28 | C29 | H293 | 113.0° | 109.5° |
| C30 | C28 | H28 | 107.0° | 109.5° |
| C28 | C30 | H301 | 110.6° | 109.5° |
| C28 | C30 | H302 | 113.9° | 109.5° |
| C28 | C30 | H303 | 110.6° | 109.5° |
| H291 | C29 | H292 | 113.0° | 109.5° |
| H291 | C29 | H293 | 97.5° | 109.5° |
| H292 | C29 | H293 | 113.0° | 109.4° |
| H301 | C30 | H302 | 110.6° | 109.4° |
| H301 | C30 | H303 | 99.7° | 109.5° |
| H302 | C30 | H303 | 110.6° | 109.4° |
| O32 | C31 | C33 | 103.3° | 120.0° |
| C31 | C33 | F34 | 106.2° | 109.5° |
| C31 | C33 | F35 | 118.1° | 109.5° |
| C31 | C33 | F36 | 113.7° | 109.5° |
| F34 | C33 | F35 | 107.6° | 109.5° |
| F34 | C33 | F36 | 109.5° | 109.5° |
| F35 | C33 | F36 | 101.5° | 109.5° |
| C38 | C37 | H371 | 105.0° | 109.5° |
| C38 | C37 | H372 | 104.9° | 109.5° |
| C37 | C38 | O39 | 112.6° | 120.0° |
| C37 | C38 | O40 | 122.0° | 120.0° |
| H371 | C37 | H372 | 104.2° | 109.5° |
| O39 | C38 | O40 | 125.4° | 120.0° |
| C38 | O40 | H40 | 122.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C9 | HC1 | 180.0° | 179.6° |
| C1 | C2 | C3 | HC2 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 173.7° | 179.8° |
| C1 | C2 | C3 | C7 | 3.3° | 0.3° |
| C2 | C1 | C9 | C8 | 1.1° | 0.5° |
| C2 | C1 | C9 | C10 | 178.8° | 179.7° |
| C9 | C1 | C2 | C3 | 0.8° | 0.5° |
| C9 | C1 | C2 | HC2 | 179.2° | 179.8° |
| C1 | C9 | C8 | C7 | 0.5° | 0.2° |
| C1 | C9 | C8 | C10 | 179.9° | 179.8° |
| C1 | C9 | C8 | HC8 | 179.5° | 179.8° |
| C1 | C9 | C10 | O11 | 131.3° | 179.8° |
| C1 | C9 | C10 | N12 | 54.9° | 0.2° |
| HC1 | C1 | C2 | C3 | 179.2° | 179.9° |
| HC1 | C1 | C2 | HC2 | 0.8° | 0.2° |
| HC1 | C1 | C9 | C8 | 178.9° | 180.0° |
| HC1 | C1 | C9 | C10 | 1.2° | 0.1° |
| C2 | C3 | C4 | C7 | 177.0° | 179.9° |
| C2 | C3 | C4 | N5 | 170.2° | 0.1° |
| C2 | C3 | C4 | O6 | 10.9° | 180.0° |
| C2 | C3 | C7 | C8 | 3.6° | 0.0° |
| C2 | C3 | C7 | HC7 | 176.3° | 179.9° |
| HC2 | C2 | C3 | C4 | 6.3° | 0.1° |
| HC2 | C2 | C3 | C7 | 176.7° | 180.0° |
| C3 | C4 | N5 | O6 | 178.9° | 179.9° |
| C3 | C4 | N5 | C37 | 167.9° | 180.0° |
| C3 | C4 | N5 | HN5 | 12.1° | 0.0° |
| C4 | C3 | C7 | C8 | 173.4° | 179.9° |
| C4 | C3 | C7 | HC7 | 6.6° | 0.0° |
| C7 | C3 | C4 | N5 | 12.9° | 180.0° |
| C7 | C3 | C4 | O6 | 166.1° | 0.1° |
| C3 | C7 | C8 | HC7 | 180.0° | 179.9° |
| C3 | C7 | C8 | C9 | 1.9° | 0.0° |
| C3 | C7 | C8 | HC8 | 178.1° | 180.0° |
| C4 | N5 | C37 | HN5 | 180.0° | 180.0° |
| C4 | N5 | C37 | C38 | 170.1° | 180.0° |
| C4 | N5 | C37 | H371 | 44.8° | 60.0° |
| C4 | N5 | C37 | H372 | 64.6° | 60.0° |
| O6 | C4 | N5 | C37 | 13.2° | 0.0° |
| O6 | C4 | N5 | HN5 | 166.8° | 179.9° |
| N5 | C37 | C38 | H371 | 125.3° | 120.0° |
| N5 | C37 | C38 | H372 | 125.3° | 120.0° |
| N5 | C37 | H371 | H372 | 110.0° | 120.0° |
| N5 | C37 | C38 | O39 | 147.1° | 0.0° |
| N5 | C37 | C38 | O40 | 34.5° | 180.0° |
| HN5 | N5 | C37 | C38 | 9.9° | 0.0° |
| HN5 | N5 | C37 | H371 | 135.1° | 120.0° |
| HN5 | N5 | C37 | H372 | 115.4° | 120.0° |
| C7 | C8 | C9 | HC8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.3° | 180.0° |
| HC7 | C7 | C8 | C9 | 178.1° | 180.0° |
| HC7 | C7 | C8 | HC8 | 1.9° | 0.1° |
| C8 | C9 | C10 | O11 | 48.6° | 0.1° |
| C8 | C9 | C10 | N12 | 125.3° | 180.0° |
| HC8 | C8 | C9 | C10 | 0.7° | 0.1° |
| C9 | C10 | O11 | N12 | 173.5° | 180.0° |
| C9 | C10 | N12 | C13 | 170.3° | 180.0° |
| C9 | C10 | N12 | H12 | 9.7° | 0.1° |
| O11 | C10 | N12 | C13 | 4.3° | 0.0° |
| O11 | C10 | N12 | H12 | 175.7° | 180.0° |
| C10 | N12 | C13 | H12 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 98.9° | 85.0° |
| C10 | N12 | C13 | C17 | 146.2° | 155.0° |
| C10 | N12 | C13 | H13 | 22.0° | 35.0° |
| N12 | C13 | C14 | C17 | 117.0° | 120.0° |
| N12 | C13 | C14 | H13 | 118.9° | 120.0° |
| N12 | C13 | C17 | H13 | 118.7° | 120.0° |
| N12 | C13 | C14 | C15 | 172.4° | 58.6° |
| N12 | C13 | C14 | C16 | 65.0° | 178.6° |
| N12 | C13 | C14 | H14 | 49.8° | 61.4° |
| N12 | C13 | C17 | O18 | 87.5° | 32.7° |
| N12 | C13 | C17 | N19 | 96.3° | 147.3° |
| H12 | N12 | C13 | C14 | 81.1° | 95.0° |
| H12 | N12 | C13 | C17 | 33.8° | 25.1° |
| H12 | N12 | C13 | H13 | 158.0° | 145.1° |
| C14 | C13 | C17 | H13 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 129.8° | 120.0° |
| C13 | C14 | C15 | H14 | 114.0° | 120.1° |
| C13 | C14 | C16 | H14 | 113.0° | 120.1° |
| C13 | C14 | C15 | H151 | 54.7° | 180.0° |
| C13 | C14 | C15 | H152 | 180.0° | 60.0° |
| C13 | C14 | C15 | H153 | 54.7° | 60.0° |
| C13 | C14 | C16 | H161 | 54.8° | 65.3° |
| C13 | C14 | C16 | H162 | 180.0° | 54.7° |
| C13 | C14 | C16 | H163 | 54.7° | 174.6° |
| C14 | C13 | C17 | O18 | 33.3° | 87.3° |
| C14 | C13 | C17 | N19 | 142.9° | 92.7° |
| C17 | C13 | C14 | C15 | 55.4° | 61.4° |
| C17 | C13 | C14 | C16 | 178.0° | 58.6° |
| C17 | C13 | C14 | H14 | 67.2° | 178.6° |
| C13 | C17 | O18 | N19 | 176.2° | 180.0° |
| C13 | C17 | N19 | C20 | 170.3° | 176.3° |
| C13 | C17 | N19 | C23 | 10.2° | 3.3° |
| H13 | C13 | C14 | C15 | 68.7° | 178.6° |
| H13 | C13 | C14 | C16 | 53.9° | 61.4° |
| H13 | C13 | C14 | H14 | 168.8° | 58.6° |
| H13 | C13 | C17 | O18 | 153.8° | 152.7° |
| H13 | C13 | C17 | N19 | 22.4° | 27.3° |
| C15 | C14 | C16 | H14 | 122.8° | 120.0° |
| C14 | C15 | H151 | H152 | 123.9° | 120.1° |
| C14 | C15 | H151 | H153 | 118.1° | 120.0° |
| C14 | C15 | H152 | H153 | 125.3° | 120.0° |
| C15 | C14 | C16 | H161 | 178.9° | 54.6° |
| C15 | C14 | C16 | H162 | 55.8° | 174.6° |
| C15 | C14 | C16 | H163 | 69.4° | 65.4° |
| C16 | C14 | C15 | H151 | 75.0° | 60.0° |
| C16 | C14 | C15 | H152 | 50.3° | 180.0° |
| C16 | C14 | C15 | H153 | 175.5° | 60.0° |
| C14 | C16 | H161 | H162 | 130.9° | 120.0° |
| C14 | C16 | H161 | H163 | 114.5° | 120.1° |
| C14 | C16 | H162 | H163 | 125.2° | 120.0° |
| H14 | C14 | C15 | H151 | 168.7° | 60.0° |
| H14 | C14 | C15 | H152 | 66.0° | 60.1° |
| H14 | C14 | C15 | H153 | 59.3° | 179.9° |
| H14 | C14 | C16 | H161 | 58.2° | 174.6° |
| H14 | C14 | C16 | H162 | 67.0° | 65.4° |
| H14 | C14 | C16 | H163 | 167.7° | 54.5° |
| H151 | C15 | H152 | H153 | 109.4° | 119.9° |
| H161 | C16 | H162 | H163 | 109.5° | 120.0° |
| O18 | C17 | N19 | C20 | 6.0° | 3.7° |
| O18 | C17 | N19 | C23 | 173.5° | 176.7° |
| C17 | N19 | C20 | C23 | 179.6° | 179.7° |
| C17 | N19 | C20 | C21 | 169.3° | 178.9° |
| C17 | N19 | C20 | C24 | 55.2° | 61.4° |
| C17 | N19 | C20 | H20 | 63.1° | 59.6° |
| C17 | N19 | C23 | C22 | 171.5° | 155.9° |
| C17 | N19 | C23 | H231 | 63.3° | 37.1° |
| C17 | N19 | C23 | H232 | 46.2° | 85.3° |
| N19 | C20 | C21 | C24 | 123.7° | 120.0° |
| N19 | C20 | C21 | H20 | 118.7° | 119.1° |
| N19 | C20 | C24 | H20 | 119.6° | 120.9° |
| N19 | C20 | C21 | C22 | 25.0° | 21.8° |
| N19 | C20 | C21 | H211 | 150.2° | 140.3° |
| N19 | C20 | C21 | H212 | 100.3° | 96.5° |
| C20 | N19 | C23 | C22 | 8.1° | 24.4° |
| C20 | N19 | C23 | H231 | 117.2° | 143.2° |
| C20 | N19 | C23 | H232 | 133.3° | 94.4° |
| N19 | C20 | C24 | O25 | 58.6° | 0.4° |
| N19 | C20 | C24 | N26 | 126.2° | 179.5° |
| C23 | N19 | C20 | C21 | 11.1° | 1.5° |
| C23 | N19 | C20 | C24 | 125.2° | 118.3° |
| C23 | N19 | C20 | H20 | 116.5° | 120.7° |
| N19 | C23 | C22 | C21 | 24.0° | 37.0° |
| N19 | C23 | C22 | H231 | 125.3° | 118.8° |
| N19 | C23 | C22 | H232 | 125.2° | 118.8° |
| N19 | C23 | C22 | H221 | 101.3° | 81.1° |
| N19 | C23 | C22 | H222 | 149.3° | 155.1° |
| N19 | C23 | H231 | H232 | 121.1° | 122.3° |
| C21 | C20 | C24 | H20 | 127.7° | 121.0° |
| C20 | C21 | C22 | H211 | 125.2° | 118.5° |
| C20 | C21 | C22 | H212 | 125.2° | 118.1° |
| C20 | C21 | H211 | H212 | 120.0° | 123.1° |
| C20 | C21 | C22 | C23 | 31.8° | 35.3° |
| C20 | C21 | C22 | H221 | 93.5° | 82.8° |
| C20 | C21 | C22 | H222 | 157.1° | 153.3° |
| C21 | C20 | C24 | O25 | 54.1° | 118.5° |
| C21 | C20 | C24 | N26 | 121.1° | 61.4° |
| C24 | C20 | C21 | C22 | 148.7° | 141.8° |
| C24 | C20 | C21 | H211 | 86.0° | 99.7° |
| C24 | C20 | C21 | H212 | 23.4° | 23.5° |
| C20 | C24 | O25 | N26 | 175.1° | 179.9° |
| C20 | C24 | N26 | C27 | 174.2° | 180.0° |
| C20 | C24 | N26 | H26 | 5.8° | 0.1° |
| H20 | C20 | C21 | C22 | 93.8° | 97.2° |
| H20 | C20 | C21 | H211 | 31.5° | 21.2° |
| H20 | C20 | C21 | H212 | 141.0° | 144.5° |
| H20 | C20 | C24 | O25 | 178.2° | 120.5° |
| H20 | C20 | C24 | N26 | 6.6° | 59.6° |
| C22 | C21 | H211 | H212 | 120.1° | 123.3° |
| C21 | C22 | C23 | H221 | 125.3° | 118.1° |
| C21 | C22 | C23 | H222 | 125.3° | 118.1° |
| C21 | C22 | H221 | H222 | 118.9° | 123.9° |
| C21 | C22 | C23 | H231 | 101.3° | 155.9° |
| C21 | C22 | C23 | H232 | 149.2° | 81.8° |
| H211 | C21 | C22 | C23 | 157.1° | 153.8° |
| H211 | C21 | C22 | H221 | 31.8° | 35.8° |
| H211 | C21 | C22 | H222 | 77.7° | 88.1° |
| H212 | C21 | C22 | C23 | 93.4° | 82.8° |
| H212 | C21 | C22 | H221 | 141.3° | 159.1° |
| H212 | C21 | C22 | H222 | 31.8° | 35.2° |
| C23 | C22 | H221 | H222 | 119.0° | 123.9° |
| C22 | C23 | H231 | H232 | 121.1° | 122.3° |
| H221 | C22 | C23 | H231 | 133.5° | 37.8° |
| H221 | C22 | C23 | H232 | 24.0° | 160.1° |
| H222 | C22 | C23 | H231 | 24.0° | 86.1° |
| H222 | C22 | C23 | H232 | 85.5° | 36.2° |
| O25 | C24 | N26 | C27 | 10.6° | 0.0° |
| O25 | C24 | N26 | H26 | 169.4° | 180.0° |
| C24 | N26 | C27 | H26 | 180.0° | 180.0° |
| C24 | N26 | C27 | C28 | 128.4° | 85.0° |
| C24 | N26 | C27 | C31 | 94.9° | 155.0° |
| C24 | N26 | C27 | H27 | 16.1° | 35.0° |
| N26 | C27 | C28 | C31 | 128.0° | 120.0° |
| N26 | C27 | C28 | H27 | 124.6° | 120.0° |
| N26 | C27 | C31 | H27 | 124.3° | 120.0° |
| N26 | C27 | C28 | C29 | 69.3° | 65.1° |
| N26 | C27 | C28 | C30 | 50.0° | 174.9° |
| N26 | C27 | C28 | H28 | 168.2° | 54.8° |
| N26 | C27 | C31 | O32 | 167.5° | 25.8° |
| N26 | C27 | C31 | C33 | 79.4° | 154.2° |
| H26 | N26 | C27 | C28 | 51.6° | 95.0° |
| H26 | N26 | C27 | C31 | 85.1° | 25.0° |
| H26 | N26 | C27 | H27 | 163.9° | 145.1° |
| C28 | C27 | C31 | H27 | 108.3° | 119.9° |
| C27 | C28 | C29 | C30 | 123.1° | 120.0° |
| C27 | C28 | C29 | H28 | 118.5° | 119.9° |
| C27 | C28 | C30 | H28 | 118.5° | 120.0° |
| C27 | C28 | C29 | H291 | 54.7° | 60.0° |
| C27 | C28 | C29 | H292 | 180.0° | 179.9° |
| C27 | C28 | C29 | H293 | 54.7° | 60.0° |
| C27 | C28 | C30 | H301 | 54.7° | 55.8° |
| C27 | C28 | C30 | H302 | 180.0° | 175.8° |
| C27 | C28 | C30 | H303 | 54.8° | 64.2° |
| C28 | C27 | C31 | O32 | 40.1° | 94.2° |
| C28 | C27 | C31 | C33 | 153.2° | 85.8° |
| C31 | C27 | C28 | C29 | 162.6° | 54.9° |
| C31 | C27 | C28 | C30 | 78.0° | 65.1° |
| C31 | C27 | C28 | H28 | 40.2° | 174.8° |
| C27 | C31 | O32 | C33 | 117.4° | 180.0° |
| C27 | C31 | C33 | F34 | 54.6° | 125.2° |
| C27 | C31 | C33 | F35 | 175.5° | 5.2° |
| C27 | C31 | C33 | F36 | 65.8° | 114.9° |
| H27 | C27 | C28 | C29 | 55.3° | 174.9° |
| H27 | C27 | C28 | C30 | 174.6° | 54.9° |
| H27 | C27 | C28 | H28 | 67.1° | 65.2° |
| H27 | C27 | C31 | O32 | 68.2° | 145.8° |
| H27 | C27 | C31 | C33 | 44.9° | 34.2° |
| C29 | C28 | C30 | H28 | 122.4° | 120.0° |
| C28 | C29 | H291 | H292 | 122.2° | 120.0° |
| C28 | C29 | H291 | H293 | 118.9° | 120.0° |
| C28 | C29 | H292 | H293 | 125.3° | 120.0° |
| C29 | C28 | C30 | H301 | 173.8° | 175.8° |
| C29 | C28 | C30 | H302 | 60.9° | 64.2° |
| C29 | C28 | C30 | H303 | 64.4° | 55.7° |
| C30 | C28 | C29 | H291 | 68.4° | 60.0° |
| C30 | C28 | C29 | H292 | 56.9° | 60.0° |
| C30 | C28 | C29 | H293 | 177.9° | 180.0° |
| C28 | C30 | H301 | H302 | 127.1° | 120.0° |
| C28 | C30 | H301 | H303 | 116.4° | 120.0° |
| C28 | C30 | H302 | H303 | 125.2° | 120.0° |
| H28 | C28 | C29 | H291 | 173.3° | 180.0° |
| H28 | C28 | C29 | H292 | 61.5° | 60.0° |
| H28 | C28 | C29 | H293 | 63.8° | 60.0° |
| H28 | C28 | C30 | H301 | 63.8° | 64.2° |
| H28 | C28 | C30 | H302 | 61.5° | 55.8° |
| H28 | C28 | C30 | H303 | 173.2° | 175.7° |
| H291 | C29 | H292 | H293 | 109.5° | 120.0° |
| H301 | C30 | H302 | H303 | 109.5° | 120.0° |
| O32 | C31 | C33 | F34 | 62.7° | 54.8° |
| O32 | C31 | C33 | F35 | 58.2° | 174.8° |
| O32 | C31 | C33 | F36 | 176.9° | 65.2° |
| C31 | C33 | F34 | F35 | 127.4° | 120.0° |
| C31 | C33 | F34 | F36 | 123.1° | 120.0° |
| C31 | C33 | F35 | F36 | 125.0° | 120.0° |
| F34 | C33 | F35 | F36 | 114.9° | 120.0° |
| C38 | C37 | H371 | H372 | 110.0° | 120.0° |
| C37 | C38 | O39 | O40 | 178.4° | 180.0° |
| C37 | C38 | O40 | H40 | 180.0° | 180.0° |
| H371 | C37 | C38 | O39 | 21.8° | 120.0° |
| H371 | C37 | C38 | O40 | 159.7° | 60.0° |
| H372 | C37 | C38 | O39 | 87.7° | 120.0° |
| H372 | C37 | C38 | O40 | 90.8° | 60.0° |
| O39 | C38 | O40 | H40 | 1.7° | 0.0° |
