A1A5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.33Å | 1.46Å | Aromatic |
| C22 | N24 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | N20 | sing | 1.39Å | 1.36Å | Aromatic |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| N24 | C35 | sing | 1.38Å | 1.34Å | Aromatic |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| N20 | C35 | sing | 1.36Å | 1.25Å | Aromatic |
| N20 | N19 | sing | 1.40Å | 1.34Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.52Å | 1.55Å | |
| C35 | C36 | doub | 1.38Å | 1.34Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.52Å | 1.55Å | |
| C28 | O34 | sing | 1.44Å | 1.39Å | |
| C28 | O31 | sing | 1.44Å | 1.39Å | |
| O34 | C33 | sing | 1.44Å | 1.42Å | |
| C36 | C18 | sing | 1.40Å | 1.49Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.41Å | |
| C33 | C32 | sing | 1.54Å | 1.52Å | |
| O31 | C32 | sing | 1.44Å | 1.41Å | |
| N17 | C16 | sing | 1.39Å | 1.41Å | |
| C16 | N37 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| N37 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | N7 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N7 | sing | 1.38Å | 1.40Å | |
| C12 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | F11 | sing | 1.40Å | 1.33Å | |
| C9 | C3 | sing | 1.53Å | 1.54Å | |
| N7 | C6 | sing | 1.47Å | 1.47Å | |
| C14 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | H1_1 | sing | 1.09Å | 1.10Å | |
| C1 | H1_3 | sing | 1.09Å | 1.10Å | |
| C1 | H1_2 | sing | 1.09Å | 1.10Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| C5 | H5_1 | sing | 1.09Å | 1.10Å | |
| C5 | H5_2 | sing | 1.09Å | 1.10Å | |
| C6 | H6_2 | sing | 1.09Å | 1.10Å | |
| C6 | H6_1 | sing | 1.09Å | 1.10Å | |
| C8 | H8_2 | sing | 1.09Å | 1.10Å | |
| C8 | H8_1 | sing | 1.09Å | 1.10Å | |
| C15 | HC15 | sing | 1.08Å | 1.08Å | |
| C21 | HC21 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C36 | HC36 | sing | 1.08Å | 1.08Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| C14 | HC14 | sing | 1.08Å | 1.08Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C25 | HC25 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.5° | 125.8° |
| C23 | C22 | N24 | 134.2° | 125.8° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C21 | C22 | N24 | 105.3° | 108.4° |
| C22 | C21 | N20 | 104.3° | 108.6° |
| C22 | C21 | HC21 | 127.9° | 125.7° |
| C22 | N24 | C25 | 125.8° | 126.2° |
| C22 | N24 | C35 | 106.8° | 107.6° |
| C21 | N20 | C35 | 111.1° | 107.9° |
| C21 | N20 | N19 | 130.3° | 144.3° |
| N20 | C21 | HC21 | 127.9° | 125.7° |
| C25 | N24 | C35 | 127.4° | 126.2° |
| N24 | C25 | C30 | 112.7° | 109.4° |
| N24 | C25 | C26 | 113.5° | 109.5° |
| N24 | C25 | HC25 | 106.9° | 109.4° |
| N24 | C35 | N20 | 112.5° | 107.5° |
| N24 | C35 | C36 | 133.0° | 145.0° |
| C30 | C25 | C26 | 111.3° | 109.5° |
| C25 | C30 | C29 | 109.4° | 109.4° |
| C25 | C30 | H301 | 109.5° | 109.5° |
| C25 | C30 | H302 | 109.5° | 109.4° |
| C30 | C25 | HC25 | 106.0° | 109.5° |
| C25 | C26 | C27 | 110.6° | 109.4° |
| C26 | C25 | HC25 | 105.9° | 109.5° |
| C25 | C26 | H261 | 109.2° | 109.5° |
| C25 | C26 | H262 | 109.2° | 109.5° |
| C35 | N20 | N19 | 118.6° | 107.8° |
| N20 | C35 | C36 | 114.4° | 107.5° |
| N20 | N19 | C18 | 96.2° | 108.7° |
| C30 | C29 | C28 | 109.9° | 109.6° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C30 | C29 | H292 | 109.4° | 109.5° |
| C30 | C29 | H291 | 109.4° | 109.4° |
| C29 | C28 | C27 | 111.6° | 110.7° |
| C29 | C28 | O34 | 108.3° | 110.2° |
| C29 | C28 | O31 | 110.0° | 110.2° |
| C28 | C29 | H292 | 109.4° | 109.5° |
| C28 | C29 | H291 | 109.4° | 109.5° |
| C35 | C36 | C18 | 97.1° | 107.6° |
| C35 | C36 | HC36 | 131.5° | 126.2° |
| N19 | C18 | C36 | 113.6° | 108.4° |
| N19 | C18 | N17 | 120.9° | 125.8° |
| C26 | C27 | C28 | 109.8° | 109.6° |
| C26 | C27 | H271 | 109.4° | 109.5° |
| C26 | C27 | H272 | 109.4° | 109.4° |
| C27 | C26 | H261 | 109.2° | 109.4° |
| C27 | C26 | H262 | 109.2° | 109.5° |
| C27 | C28 | O34 | 108.6° | 110.2° |
| C27 | C28 | O31 | 109.3° | 110.2° |
| C28 | C27 | H271 | 109.4° | 109.5° |
| C28 | C27 | H272 | 109.4° | 109.5° |
| O34 | C28 | O31 | 108.9° | 105.3° |
| C28 | O34 | C33 | 107.0° | 104.6° |
| C28 | O31 | C32 | 105.5° | 104.6° |
| O34 | C33 | C32 | 104.4° | 105.0° |
| O34 | C33 | H332 | 110.7° | 110.3° |
| O34 | C33 | H331 | 110.7° | 110.5° |
| C36 | C18 | N17 | 125.5° | 125.8° |
| C18 | C36 | HC36 | 131.4° | 126.2° |
| C18 | N17 | C16 | 127.7° | 120.0° |
| C18 | N17 | HN17 | 116.2° | 120.0° |
| C33 | C32 | O31 | 101.1° | 105.0° |
| C33 | C32 | H322 | 111.5° | 110.3° |
| C33 | C32 | H321 | 111.5° | 110.3° |
| C32 | C33 | H332 | 110.7° | 110.3° |
| C32 | C33 | H331 | 110.7° | 110.3° |
| O31 | C32 | H322 | 111.5° | 110.4° |
| O31 | C32 | H321 | 111.5° | 110.4° |
| N17 | C16 | N37 | 119.0° | 120.5° |
| N17 | C16 | C15 | 119.4° | 120.5° |
| C16 | N17 | HN17 | 116.2° | 120.0° |
| N37 | C16 | C15 | 121.7° | 119.0° |
| C16 | N37 | C12 | 115.4° | 120.6° |
| C16 | C15 | C14 | 117.5° | 118.4° |
| C16 | C15 | HC15 | 121.2° | 120.7° |
| N37 | C12 | N7 | 116.3° | 119.2° |
| N37 | C12 | N13 | 127.7° | 121.6° |
| C9 | C8 | N7 | 111.3° | 109.5° |
| C8 | C9 | F11 | 109.1° | 109.5° |
| C8 | C9 | C3 | 111.0° | 109.3° |
| C9 | C8 | H8_2 | 109.0° | 109.4° |
| C9 | C8 | H8_1 | 109.0° | 109.5° |
| C8 | C9 | HC9 | 107.9° | 109.5° |
| C8 | N7 | C12 | 120.5° | 111.0° |
| C8 | N7 | C6 | 118.5° | 111.2° |
| N7 | C8 | H8_2 | 109.0° | 109.5° |
| N7 | C8 | H8_1 | 109.0° | 109.5° |
| C15 | C14 | N13 | 122.3° | 119.3° |
| C14 | C15 | HC15 | 121.2° | 120.8° |
| C15 | C14 | HC14 | 118.9° | 120.3° |
| N7 | C12 | N13 | 116.0° | 119.2° |
| C12 | N7 | C6 | 120.8° | 111.0° |
| C12 | N13 | C14 | 115.1° | 121.0° |
| F11 | C9 | C3 | 110.4° | 109.5° |
| F11 | C9 | HC9 | 110.6° | 109.5° |
| C9 | C3 | O2 | 110.4° | 109.5° |
| C9 | C3 | C5 | 110.1° | 109.2° |
| C9 | C3 | HC3 | 108.4° | 109.5° |
| C3 | C9 | HC9 | 107.8° | 109.5° |
| N7 | C6 | C5 | 111.4° | 109.6° |
| N7 | C6 | H6_2 | 109.0° | 109.5° |
| N7 | C6 | H6_1 | 109.0° | 109.5° |
| N13 | C14 | HC14 | 118.8° | 120.4° |
| O2 | C3 | C5 | 109.4° | 109.5° |
| C3 | O2 | C1 | 113.9° | 114.0° |
| O2 | C3 | HC3 | 110.0° | 109.5° |
| C3 | C5 | C6 | 110.6° | 109.3° |
| C5 | C3 | HC3 | 108.5° | 109.5° |
| C3 | C5 | H5_1 | 109.1° | 109.5° |
| C3 | C5 | H5_2 | 109.2° | 109.5° |
| O2 | C1 | H1_1 | 109.5° | 109.5° |
| O2 | C1 | H1_3 | 109.5° | 109.5° |
| O2 | C1 | H1_2 | 109.5° | 109.5° |
| C6 | C5 | H5_1 | 109.2° | 109.5° |
| C6 | C5 | H5_2 | 109.2° | 109.5° |
| C5 | C6 | H6_2 | 109.0° | 109.4° |
| C5 | C6 | H6_1 | 109.0° | 109.5° |
| H1_1 | C1 | H1_3 | 109.5° | 109.5° |
| H1_1 | C1 | H1_2 | 109.4° | 109.4° |
| H1_3 | C1 | H1_2 | 109.5° | 109.4° |
| H5_1 | C5 | H5_2 | 109.5° | 109.5° |
| H6_2 | C6 | H6_1 | 109.5° | 109.4° |
| H8_2 | C8 | H8_1 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 110.3° |
| H332 | C33 | H331 | 109.5° | 110.3° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | N24 | 180.0° | 179.8° |
| C23 | C22 | C21 | N20 | 179.9° | 179.9° |
| C23 | C22 | N24 | C25 | 0.6° | 0.0° |
| C23 | C22 | N24 | C35 | 179.5° | 180.0° |
| C23 | C22 | C21 | HC21 | 0.1° | 0.1° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C22 | C21 | N20 | HC21 | 180.0° | 180.0° |
| C21 | C22 | N24 | C25 | 179.4° | 179.8° |
| C21 | C22 | N24 | C35 | 0.5° | 0.2° |
| C22 | C21 | N20 | C35 | 0.3° | 0.0° |
| C22 | C21 | N20 | N19 | 179.9° | 179.9° |
| C21 | C22 | C23 | H231 | 90.0° | 0.0° |
| C21 | C22 | C23 | H233 | 150.0° | 120.0° |
| C21 | C22 | C23 | H232 | 30.0° | 120.0° |
| N24 | C22 | C21 | N20 | 0.1° | 0.1° |
| C22 | N24 | C25 | C35 | 179.8° | 180.0° |
| C22 | N24 | C25 | C30 | 111.5° | 60.1° |
| C22 | N24 | C25 | C26 | 120.8° | 60.0° |
| C22 | N24 | C35 | N20 | 0.7° | 0.2° |
| C22 | N24 | C35 | C36 | 178.6° | 179.9° |
| N24 | C22 | C21 | HC21 | 179.9° | 179.9° |
| N24 | C22 | C23 | H231 | 90.0° | 179.8° |
| N24 | C22 | C23 | H233 | 30.0° | 59.8° |
| N24 | C22 | C23 | H232 | 150.0° | 60.2° |
| C22 | N24 | C25 | HC25 | 4.5° | 180.0° |
| C21 | N20 | C35 | N24 | 0.7° | 0.1° |
| C21 | N20 | C35 | N19 | 179.8° | 180.0° |
| C21 | N20 | C35 | C36 | 178.8° | 180.0° |
| C21 | N20 | N19 | C18 | 178.0° | 179.8° |
| N24 | C25 | C30 | C26 | 128.8° | 120.0° |
| N24 | C25 | C30 | HC25 | 116.6° | 119.9° |
| N24 | C25 | C26 | HC25 | 116.9° | 120.0° |
| C25 | N24 | C35 | N20 | 179.1° | 179.8° |
| N24 | C25 | C30 | C29 | 172.2° | 179.5° |
| C25 | N24 | C35 | C36 | 1.6° | 0.1° |
| N24 | C25 | C26 | C27 | 173.5° | 179.5° |
| N24 | C25 | C30 | H301 | 52.2° | 59.5° |
| N24 | C25 | C30 | H302 | 67.9° | 60.6° |
| N24 | C25 | C26 | H261 | 66.3° | 59.6° |
| N24 | C25 | C26 | H262 | 53.3° | 60.5° |
| C35 | N24 | C25 | C30 | 68.6° | 120.0° |
| C35 | N24 | C25 | C26 | 59.0° | 120.0° |
| N24 | C35 | N20 | C36 | 179.4° | 179.9° |
| N24 | C35 | N20 | N19 | 179.5° | 179.9° |
| N24 | C35 | C36 | C18 | 179.0° | 179.9° |
| N24 | C35 | C36 | HC36 | 1.0° | 0.1° |
| C35 | N24 | C25 | HC25 | 175.3° | 0.0° |
| C30 | C25 | C26 | HC25 | 114.7° | 120.0° |
| C25 | C30 | C29 | H301 | 120.0° | 120.0° |
| C25 | C30 | C29 | H302 | 120.0° | 119.9° |
| C25 | C30 | C29 | C28 | 58.3° | 59.1° |
| C30 | C25 | C26 | C27 | 58.1° | 60.5° |
| C25 | C30 | H301 | H302 | 120.0° | 120.0° |
| C30 | C25 | C26 | H261 | 62.1° | 179.6° |
| C30 | C25 | C26 | H262 | 178.3° | 59.5° |
| C25 | C30 | C29 | H292 | 61.8° | 60.9° |
| C25 | C30 | C29 | H291 | 178.4° | 179.2° |
| C26 | C25 | C30 | C29 | 59.1° | 60.5° |
| C25 | C26 | C27 | H261 | 120.2° | 120.0° |
| C25 | C26 | C27 | H262 | 120.2° | 120.0° |
| C25 | C26 | C27 | C28 | 55.6° | 59.2° |
| C25 | C26 | C27 | H271 | 175.7° | 179.2° |
| C25 | C26 | C27 | H272 | 64.4° | 60.9° |
| C26 | C25 | C30 | H301 | 179.1° | 179.5° |
| C26 | C25 | C30 | H302 | 60.9° | 59.5° |
| C25 | C26 | H261 | H262 | 119.4° | 120.1° |
| C35 | N20 | N19 | C18 | 1.8° | 0.2° |
| N20 | C35 | C36 | C18 | 0.3° | 0.2° |
| C35 | N20 | C21 | HC21 | 179.6° | 180.0° |
| N20 | C35 | C36 | HC36 | 179.7° | 179.8° |
| N19 | N20 | C35 | C36 | 1.0° | 0.0° |
| N20 | N19 | C18 | C36 | 1.9° | 0.3° |
| N20 | N19 | C18 | N17 | 176.5° | 180.0° |
| N19 | N20 | C21 | HC21 | 0.1° | 0.1° |
| C30 | C29 | C28 | H292 | 120.1° | 120.1° |
| C30 | C29 | C28 | H291 | 120.1° | 120.0° |
| C30 | C29 | C28 | C27 | 57.9° | 58.6° |
| C30 | C29 | C28 | O34 | 177.5° | 179.3° |
| C30 | C29 | C28 | O31 | 63.6° | 63.5° |
| C29 | C30 | H301 | H302 | 120.0° | 120.1° |
| C29 | C30 | C25 | HC25 | 55.6° | 59.6° |
| C30 | C29 | H292 | H291 | 119.8° | 119.9° |
| C29 | C28 | C27 | C26 | 56.2° | 58.6° |
| C29 | C28 | C27 | O34 | 119.3° | 122.1° |
| C29 | C28 | C27 | O31 | 121.9° | 122.1° |
| C29 | C28 | O34 | O31 | 119.6° | 118.8° |
| C29 | C28 | O34 | C33 | 110.0° | 80.2° |
| C29 | C28 | O31 | C32 | 88.4° | 80.2° |
| C29 | C28 | C27 | H271 | 176.3° | 178.6° |
| C29 | C28 | C27 | H272 | 63.8° | 61.4° |
| C28 | C29 | C30 | H301 | 178.3° | 179.2° |
| C28 | C29 | C30 | H302 | 61.7° | 60.8° |
| C28 | C29 | H292 | H291 | 119.8° | 119.9° |
| C35 | C36 | C18 | N19 | 1.4° | 0.3° |
| C35 | C36 | C18 | HC36 | 180.0° | 180.0° |
| C35 | C36 | C18 | N17 | 176.8° | 180.0° |
| N19 | C18 | C36 | N17 | 178.2° | 179.7° |
| N19 | C18 | N17 | C16 | 170.3° | 174.2° |
| N19 | C18 | C36 | HC36 | 178.6° | 179.7° |
| N19 | C18 | N17 | HN17 | 9.7° | 5.8° |
| C26 | C27 | C28 | H271 | 120.0° | 120.1° |
| C26 | C27 | C28 | H272 | 120.0° | 120.0° |
| C26 | C27 | C28 | O34 | 175.5° | 179.3° |
| C26 | C27 | C28 | O31 | 65.7° | 63.5° |
| C26 | C27 | H271 | H272 | 119.8° | 119.9° |
| C27 | C26 | C25 | HC25 | 56.6° | 59.6° |
| C27 | C26 | H261 | H262 | 119.5° | 120.0° |
| C27 | C28 | O34 | O31 | 119.0° | 118.8° |
| C27 | C28 | O34 | C33 | 128.6° | 157.4° |
| C27 | C28 | O31 | C32 | 148.7° | 157.3° |
| C28 | C27 | H271 | H272 | 119.9° | 119.9° |
| C28 | C27 | C26 | H261 | 64.6° | 179.1° |
| C28 | C27 | C26 | H262 | 175.8° | 60.9° |
| C27 | C28 | C29 | H292 | 62.1° | 61.5° |
| C27 | C28 | C29 | H291 | 178.0° | 178.6° |
| C28 | O34 | C33 | C32 | 12.9° | 23.0° |
| O34 | C28 | O31 | C32 | 30.1° | 38.6° |
| O34 | C28 | C27 | H271 | 64.4° | 59.3° |
| O34 | C28 | C27 | H272 | 55.5° | 60.6° |
| C28 | O34 | C33 | H332 | 106.3° | 95.8° |
| C28 | O34 | C33 | H331 | 132.1° | 142.0° |
| O34 | C28 | C29 | H292 | 57.4° | 60.6° |
| O34 | C28 | C29 | H291 | 62.5° | 59.3° |
| O31 | C28 | O34 | C33 | 9.6° | 38.6° |
| C28 | O31 | C32 | C33 | 36.0° | 23.0° |
| O31 | C28 | C27 | H271 | 54.4° | 56.5° |
| O31 | C28 | C27 | H272 | 174.3° | 176.4° |
| C28 | O31 | C32 | H322 | 154.6° | 141.9° |
| C28 | O31 | C32 | H321 | 82.7° | 95.9° |
| O31 | C28 | C29 | H292 | 176.3° | 176.4° |
| O31 | C28 | C29 | H291 | 56.5° | 56.5° |
| O34 | C33 | C32 | H332 | 119.2° | 118.8° |
| O34 | C33 | C32 | H331 | 119.2° | 119.0° |
| O34 | C33 | C32 | O31 | 30.0° | 0.0° |
| O34 | C33 | C32 | H322 | 148.7° | 118.9° |
| O34 | C33 | C32 | H321 | 88.6° | 119.0° |
| O34 | C33 | H332 | H331 | 122.3° | 122.3° |
| C36 | C18 | N17 | C16 | 7.8° | 5.5° |
| C36 | C18 | N17 | HN17 | 172.2° | 174.5° |
| C18 | N17 | C16 | HN17 | 180.0° | 179.9° |
| C18 | N17 | C16 | N37 | 13.7° | 5.6° |
| C18 | N17 | C16 | C15 | 165.5° | 174.4° |
| N17 | C18 | C36 | HC36 | 3.2° | 0.0° |
| C33 | C32 | O31 | H322 | 118.6° | 118.8° |
| C33 | C32 | O31 | H321 | 118.6° | 118.9° |
| C33 | C32 | H322 | H321 | 123.9° | 122.2° |
| C32 | C33 | H332 | H331 | 122.4° | 122.1° |
| O31 | C32 | H322 | H321 | 123.9° | 122.3° |
| O31 | C32 | C33 | H332 | 89.2° | 118.8° |
| O31 | C32 | C33 | H331 | 149.2° | 119.0° |
| N17 | C16 | N37 | C15 | 179.2° | 180.0° |
| N17 | C16 | N37 | C12 | 178.9° | 180.0° |
| N17 | C16 | C15 | C14 | 177.5° | 179.7° |
| N17 | C16 | C15 | HC15 | 2.5° | 0.0° |
| N37 | C16 | C15 | C14 | 1.7° | 0.3° |
| C16 | N37 | C12 | N7 | 176.2° | 180.0° |
| C16 | N37 | C12 | N13 | 4.5° | 0.2° |
| N37 | C16 | C15 | HC15 | 178.3° | 180.0° |
| N37 | C16 | N17 | HN17 | 166.3° | 174.4° |
| C15 | C16 | N37 | C12 | 0.3° | 0.0° |
| C16 | C15 | C14 | HC15 | 180.0° | 179.7° |
| C16 | C15 | C14 | N13 | 1.3° | 0.3° |
| C16 | C15 | C14 | HC14 | 178.7° | 179.7° |
| C15 | C16 | N17 | HN17 | 14.4° | 5.5° |
| N37 | C12 | N7 | C8 | 1.6° | 179.7° |
| N37 | C12 | N7 | N13 | 179.5° | 179.8° |
| N37 | C12 | N7 | C6 | 176.1° | 55.6° |
| N37 | C12 | N13 | C14 | 7.2° | 0.2° |
| C9 | C8 | N7 | H8_2 | 120.3° | 120.0° |
| C9 | C8 | N7 | H8_1 | 120.3° | 120.0° |
| C9 | C8 | N7 | C12 | 137.1° | 174.1° |
| C8 | C9 | F11 | C3 | 122.3° | 119.8° |
| C8 | C9 | F11 | HC9 | 118.6° | 120.1° |
| C8 | C9 | C3 | HC9 | 117.9° | 120.0° |
| C9 | C8 | N7 | C6 | 48.3° | 61.8° |
| C8 | C9 | C3 | O2 | 178.3° | 177.6° |
| C8 | C9 | C3 | C5 | 57.3° | 57.7° |
| C8 | C9 | C3 | HC3 | 61.1° | 62.3° |
| C9 | C8 | H8_2 | H8_1 | 119.1° | 120.0° |
| C8 | N7 | C12 | C6 | 174.5° | 124.2° |
| C8 | N7 | C12 | N13 | 177.9° | 0.0° |
| N7 | C8 | C9 | F11 | 70.8° | 60.7° |
| N7 | C8 | C9 | C3 | 51.1° | 59.2° |
| C8 | N7 | C6 | C5 | 48.6° | 61.8° |
| C8 | N7 | C6 | H6_2 | 71.6° | 178.2° |
| C8 | N7 | C6 | H6_1 | 168.9° | 58.3° |
| N7 | C8 | H8_2 | H8_1 | 119.2° | 120.0° |
| N7 | C8 | C9 | HC9 | 168.9° | 179.2° |
| C15 | C14 | N13 | C12 | 5.2° | 0.1° |
| C15 | C14 | N13 | HC14 | 180.0° | 179.9° |
| N7 | C12 | N13 | C14 | 173.4° | 180.0° |
| C12 | N7 | C6 | C5 | 136.7° | 174.2° |
| C12 | N7 | C6 | H6_2 | 103.0° | 54.2° |
| C12 | N7 | C6 | H6_1 | 16.5° | 65.8° |
| C12 | N7 | C8 | H8_2 | 102.7° | 54.2° |
| C12 | N7 | C8 | H8_1 | 16.8° | 65.8° |
| N13 | C12 | N7 | C6 | 3.3° | 124.2° |
| C12 | N13 | C14 | HC14 | 174.8° | 180.0° |
| F11 | C9 | C3 | HC9 | 120.9° | 120.1° |
| F11 | C9 | C3 | O2 | 57.1° | 57.6° |
| F11 | C9 | C3 | C5 | 63.8° | 62.3° |
| F11 | C9 | C3 | HC3 | 177.7° | 177.8° |
| F11 | C9 | C8 | H8_2 | 169.0° | 59.3° |
| F11 | C9 | C8 | H8_1 | 49.5° | 179.2° |
| C9 | C3 | O2 | C5 | 121.3° | 119.7° |
| C9 | C3 | O2 | HC3 | 119.6° | 120.2° |
| C9 | C3 | C5 | HC3 | 118.4° | 119.9° |
| C9 | C3 | O2 | C1 | 82.7° | 90.3° |
| C9 | C3 | C5 | C6 | 57.5° | 57.6° |
| C9 | C3 | C5 | H5_1 | 62.7° | 62.3° |
| C9 | C3 | C5 | H5_2 | 177.6° | 177.6° |
| C3 | C9 | C8 | H8_2 | 69.2° | 179.2° |
| C3 | C9 | C8 | H8_1 | 171.4° | 60.9° |
| N7 | C6 | C5 | C3 | 51.6° | 59.2° |
| N7 | C6 | C5 | H6_2 | 120.3° | 120.0° |
| N7 | C6 | C5 | H6_1 | 120.3° | 120.1° |
| N7 | C6 | C5 | H5_1 | 68.5° | 60.7° |
| N7 | C6 | C5 | H5_2 | 171.8° | 179.2° |
| N7 | C6 | H6_2 | H6_1 | 119.2° | 120.0° |
| C6 | N7 | C8 | H8_2 | 72.0° | 178.3° |
| C6 | N7 | C8 | H8_1 | 168.6° | 58.3° |
| N13 | C14 | C15 | HC15 | 178.7° | 179.9° |
| O2 | C3 | C5 | HC3 | 120.0° | 120.1° |
| O2 | C3 | C5 | C6 | 179.0° | 177.6° |
| C3 | O2 | C1 | H1_1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H1_3 | 60.0° | 180.0° |
| C3 | O2 | C1 | H1_2 | 60.0° | 60.0° |
| O2 | C3 | C5 | H5_1 | 58.8° | 57.7° |
| O2 | C3 | C5 | H5_2 | 60.8° | 62.5° |
| O2 | C3 | C9 | HC9 | 63.8° | 62.4° |
| C5 | C3 | O2 | C1 | 156.0° | 149.9° |
| C3 | C5 | C6 | H5_1 | 120.1° | 119.9° |
| C3 | C5 | C6 | H5_2 | 120.2° | 120.0° |
| C3 | C5 | H5_1 | H5_2 | 119.5° | 120.1° |
| C3 | C5 | C6 | H6_2 | 68.6° | 179.2° |
| C3 | C5 | C6 | H6_1 | 171.9° | 60.9° |
| C5 | C3 | C9 | HC9 | 175.3° | 177.6° |
| O2 | C1 | H1_1 | H1_3 | 120.0° | 120.0° |
| O2 | C1 | H1_1 | H1_2 | 120.0° | 120.0° |
| O2 | C1 | H1_3 | H1_2 | 120.0° | 120.0° |
| C1 | O2 | C3 | HC3 | 36.9° | 29.8° |
| C6 | C5 | C3 | HC3 | 61.0° | 62.3° |
| C6 | C5 | H5_1 | H5_2 | 119.5° | 120.1° |
| C5 | C6 | H6_2 | H6_1 | 119.1° | 120.0° |
| H1_1 | C1 | H1_3 | H1_2 | 119.9° | 120.0° |
| HC3 | C3 | C5 | H5_1 | 178.9° | 177.8° |
| HC3 | C3 | C5 | H5_2 | 59.2° | 57.7° |
| HC3 | C3 | C9 | HC9 | 56.8° | 57.7° |
| H5_1 | C5 | C6 | H6_2 | 171.2° | 59.3° |
| H5_1 | C5 | C6 | H6_1 | 51.8° | 179.2° |
| H5_2 | C5 | C6 | H6_2 | 51.5° | 60.8° |
| H5_2 | C5 | C6 | H6_1 | 67.9° | 59.1° |
| H8_2 | C8 | C9 | HC9 | 48.7° | 60.8° |
| H8_1 | C8 | C9 | HC9 | 70.8° | 59.1° |
| HC15 | C15 | C14 | HC14 | 1.3° | 0.0° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H271 | C27 | C26 | H261 | 55.5° | 60.8° |
| H271 | C27 | C26 | H262 | 64.2° | 59.2° |
| H272 | C27 | C26 | H261 | 175.4° | 59.1° |
| H272 | C27 | C26 | H262 | 55.8° | 179.1° |
| H301 | C30 | C25 | HC25 | 64.4° | 60.4° |
| H301 | C30 | C29 | H292 | 58.2° | 59.1° |
| H301 | C30 | C29 | H291 | 61.6° | 60.8° |
| H302 | C30 | C25 | HC25 | 175.6° | 179.5° |
| H302 | C30 | C29 | H292 | 178.3° | 179.2° |
| H302 | C30 | C29 | H291 | 58.4° | 59.3° |
| H322 | C32 | C33 | H332 | 29.5° | 122.3° |
| H322 | C32 | C33 | H331 | 92.2° | 0.1° |
| H321 | C32 | C33 | H332 | 152.2° | 0.2° |
| H321 | C32 | C33 | H331 | 30.6° | 122.0° |
| HC25 | C25 | C26 | H261 | 176.8° | 60.4° |
| HC25 | C25 | C26 | H262 | 63.6° | 179.5° |
