190
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O9 | sing | 1.36Å | 1.40Å | |
| C3 | C8 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| O9 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C11 | N13 | sing | 1.35Å | 1.35Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C23 | sing | 1.53Å | 1.55Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C15 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| BR17 | C45 | sing | 1.89Å | 1.87Å | |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.10Å | |
| C23 | O38 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| O38 | H38 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | S30 | sing | 1.81Å | 1.77Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| S30 | O39 | doub | 1.42Å | 1.46Å | |
| S30 | O40 | doub | 1.42Å | 1.47Å | |
| S30 | C31 | sing | 1.76Å | 1.78Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | F37 | sing | 1.35Å | 1.32Å | |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | sing | 1.53Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 119.3° | 119.9° |
| C3 | C4 | O9 | 120.7° | 120.0° |
| C4 | C3 | C8 | 120.2° | 120.1° |
| C4 | C3 | C2 | 120.3° | 119.9° |
| C5 | C4 | O9 | 120.0° | 120.1° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | C7 | 119.7° | 120.0° |
| C4 | O9 | C10 | 111.0° | 106.8° |
| C8 | C3 | C2 | 119.5° | 120.0° |
| C3 | C8 | H81 | 108.4° | 109.4° |
| C3 | C8 | H82 | 120.2° | 109.5° |
| C3 | C8 | H83 | 108.3° | 109.4° |
| C3 | C2 | C1 | 120.1° | 120.1° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| H81 | C8 | H82 | 108.4° | 109.5° |
| H81 | C8 | H83 | 101.6° | 109.5° |
| H82 | C8 | H83 | 108.4° | 109.5° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C2 | C1 | C6 | 119.6° | 120.1° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C6 | C1 | H1 | 120.3° | 119.9° |
| C1 | C6 | C5 | 120.2° | 120.1° |
| C1 | C6 | H6 | 120.0° | 119.9° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C6 | C5 | C7 | 120.0° | 120.0° |
| C5 | C7 | H71 | 108.6° | 109.5° |
| C5 | C7 | H72 | 119.7° | 109.5° |
| C5 | C7 | H73 | 108.5° | 109.5° |
| H71 | C7 | H72 | 108.5° | 109.5° |
| H71 | C7 | H73 | 101.5° | 109.4° |
| H72 | C7 | H73 | 108.5° | 109.5° |
| O9 | C10 | C11 | 111.4° | 109.5° |
| O9 | C10 | H101 | 111.5° | 109.5° |
| O9 | C10 | H102 | 111.5° | 109.5° |
| C11 | C10 | H101 | 111.5° | 109.5° |
| C11 | C10 | H102 | 111.5° | 109.5° |
| C10 | C11 | O12 | 116.9° | 120.0° |
| C10 | C11 | N13 | 115.7° | 120.0° |
| H101 | C10 | H102 | 98.9° | 109.5° |
| O12 | C11 | N13 | 123.6° | 120.0° |
| C11 | N13 | C14 | 119.9° | 120.0° |
| C11 | N13 | H13 | 116.5° | 120.0° |
| C14 | N13 | H13 | 123.6° | 120.0° |
| N13 | C14 | C16 | 108.8° | 109.5° |
| N13 | C14 | C23 | 109.3° | 109.5° |
| N13 | C14 | H14 | 110.5° | 109.5° |
| C16 | C14 | C23 | 110.8° | 109.5° |
| C16 | C14 | H14 | 109.0° | 109.5° |
| C14 | C16 | C15 | 106.8° | 109.5° |
| C14 | C16 | H161 | 113.2° | 109.4° |
| C14 | C16 | H162 | 113.2° | 109.5° |
| C23 | C14 | H14 | 108.5° | 109.5° |
| C14 | C23 | O38 | 107.7° | 109.4° |
| C14 | C23 | C24 | 107.3° | 109.5° |
| C14 | C23 | H23 | 112.0° | 109.4° |
| C15 | C16 | H161 | 113.2° | 109.5° |
| C15 | C16 | H162 | 113.2° | 109.5° |
| C16 | C15 | C42 | 121.4° | 120.0° |
| C16 | C15 | C46 | 117.5° | 120.0° |
| H161 | C16 | H162 | 97.2° | 109.5° |
| C42 | C15 | C46 | 121.0° | 120.0° |
| C15 | C42 | C43 | 120.0° | 120.0° |
| C15 | C42 | H42 | 119.5° | 120.0° |
| C15 | C46 | C45 | 119.3° | 120.0° |
| C15 | C46 | H46 | 120.6° | 120.0° |
| C43 | C42 | H42 | 120.4° | 120.0° |
| C42 | C43 | C44 | 118.9° | 120.1° |
| C42 | C43 | H43 | 120.4° | 120.0° |
| C44 | C43 | H43 | 120.7° | 120.0° |
| C43 | C44 | C45 | 120.2° | 120.0° |
| C43 | C44 | H44 | 120.3° | 120.0° |
| C45 | C44 | H44 | 119.6° | 120.0° |
| C44 | C45 | BR17 | 122.7° | 120.0° |
| C44 | C45 | C46 | 120.6° | 120.0° |
| BR17 | C45 | C46 | 116.7° | 120.0° |
| C45 | C46 | H46 | 120.2° | 120.0° |
| O38 | C23 | C24 | 109.6° | 109.5° |
| O38 | C23 | H23 | 109.8° | 109.5° |
| C23 | O38 | H38 | 107.8° | 106.8° |
| C24 | C23 | H23 | 110.2° | 109.5° |
| C23 | C24 | C25 | 113.7° | 109.4° |
| C23 | C24 | H241 | 110.7° | 109.5° |
| C23 | C24 | H242 | 110.7° | 109.4° |
| C25 | C24 | H241 | 110.6° | 109.5° |
| C25 | C24 | H242 | 110.7° | 109.4° |
| C24 | C25 | S30 | 115.0° | 109.5° |
| C24 | C25 | C26 | 116.9° | 109.5° |
| C24 | C25 | H25 | 102.9° | 109.5° |
| H241 | C24 | H242 | 99.6° | 109.5° |
| S30 | C25 | C26 | 117.9° | 109.5° |
| S30 | C25 | H25 | 101.3° | 109.4° |
| C25 | S30 | O39 | 111.6° | 111.6° |
| C25 | S30 | O40 | 108.5° | 111.6° |
| C25 | S30 | C31 | 108.0° | 103.2° |
| C26 | C25 | H25 | 98.0° | 109.4° |
| C25 | C26 | C27 | 114.3° | 109.5° |
| C25 | C26 | H261 | 110.4° | 109.5° |
| C25 | C26 | H262 | 110.5° | 109.5° |
| O39 | S30 | O40 | 116.7° | 122.1° |
| O39 | S30 | C31 | 105.7° | 102.8° |
| O40 | S30 | C31 | 105.9° | 102.8° |
| S30 | C31 | C32 | 121.3° | 120.0° |
| S30 | C31 | C36 | 118.9° | 120.0° |
| C32 | C31 | C36 | 119.8° | 120.1° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C31 | C32 | H32 | 119.3° | 120.0° |
| C31 | C36 | C35 | 120.7° | 120.0° |
| C31 | C36 | H36 | 119.9° | 120.0° |
| C33 | C32 | H32 | 120.6° | 119.9° |
| C32 | C33 | C34 | 119.2° | 119.9° |
| C32 | C33 | H33 | 120.9° | 120.0° |
| C34 | C33 | H33 | 119.9° | 120.1° |
| C33 | C34 | F37 | 120.5° | 120.0° |
| C33 | C34 | C35 | 121.2° | 120.0° |
| F37 | C34 | C35 | 118.2° | 120.0° |
| C34 | C35 | C36 | 119.0° | 119.9° |
| C34 | C35 | H35 | 120.6° | 120.0° |
| C36 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | H36 | 119.4° | 120.0° |
| C27 | C26 | H261 | 110.4° | 109.5° |
| C27 | C26 | H262 | 110.4° | 109.4° |
| C26 | C27 | C28 | 108.9° | 109.5° |
| C26 | C27 | C29 | 109.9° | 109.5° |
| C26 | C27 | H27 | 108.9° | 109.5° |
| H261 | C26 | H262 | 99.9° | 109.4° |
| C28 | C27 | C29 | 107.4° | 109.5° |
| C28 | C27 | H27 | 111.4° | 109.4° |
| C27 | C28 | H281 | 112.4° | 109.5° |
| C27 | C28 | H282 | 108.9° | 109.5° |
| C27 | C28 | H283 | 112.4° | 109.5° |
| C29 | C27 | H27 | 110.4° | 109.5° |
| C27 | C29 | H291 | 112.1° | 109.5° |
| C27 | C29 | H292 | 109.9° | 109.4° |
| C27 | C29 | H293 | 112.1° | 109.5° |
| H281 | C28 | H282 | 112.4° | 109.5° |
| H281 | C28 | H283 | 98.0° | 109.5° |
| H282 | C28 | H283 | 112.5° | 109.4° |
| H291 | C29 | H292 | 112.1° | 109.5° |
| H291 | C29 | H293 | 98.4° | 109.5° |
| H292 | C29 | H293 | 112.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | O9 | 180.0° | 179.7° |
| C4 | C3 | C8 | C2 | 178.3° | 180.0° |
| C4 | C3 | C8 | H81 | 54.7° | 90.0° |
| C4 | C3 | C8 | H82 | 180.0° | 150.0° |
| C4 | C3 | C8 | H83 | 54.7° | 30.0° |
| C4 | C3 | C2 | C1 | 5.3° | 0.0° |
| C4 | C3 | C2 | H2 | 174.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.6° |
| C3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C3 | C4 | O9 | C10 | 94.7° | 90.0° |
| C5 | C4 | C3 | C8 | 179.2° | 179.7° |
| C5 | C4 | C3 | C2 | 2.5° | 0.3° |
| C4 | C5 | C6 | C1 | 0.8° | 0.6° |
| C4 | C5 | C6 | C7 | 179.1° | 179.4° |
| C4 | C5 | C6 | H6 | 179.2° | 179.7° |
| C4 | C5 | C7 | H71 | 54.7° | 90.6° |
| C4 | C5 | C7 | H72 | 180.0° | 29.4° |
| C4 | C5 | C7 | H73 | 54.7° | 149.4° |
| C5 | C4 | O9 | C10 | 85.3° | 90.3° |
| O9 | C4 | C3 | C8 | 0.8° | 0.0° |
| O9 | C4 | C3 | C2 | 177.5° | 180.0° |
| O9 | C4 | C5 | C6 | 179.4° | 179.7° |
| O9 | C4 | C5 | C7 | 0.4° | 0.3° |
| C4 | O9 | C10 | C11 | 175.8° | 180.0° |
| C4 | O9 | C10 | H101 | 50.6° | 60.0° |
| C4 | O9 | C10 | H102 | 58.9° | 60.0° |
| C3 | C8 | H81 | H82 | 131.9° | 120.0° |
| C3 | C8 | H81 | H83 | 114.0° | 119.9° |
| C3 | C8 | H82 | H83 | 125.2° | 119.9° |
| C8 | C3 | C2 | C1 | 176.3° | 180.0° |
| C8 | C3 | C2 | H2 | 3.7° | 0.0° |
| C2 | C3 | C8 | H81 | 123.6° | 90.0° |
| C2 | C3 | C8 | H82 | 1.7° | 30.0° |
| C2 | C3 | C8 | H83 | 126.9° | 150.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 5.0° | 0.0° |
| C3 | C2 | C1 | H1 | 175.0° | 180.0° |
| H81 | C8 | H82 | H83 | 109.5° | 120.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 2.0° | 0.3° |
| C2 | C1 | C6 | H6 | 178.0° | 179.9° |
| H2 | C2 | C1 | C6 | 175.0° | 179.9° |
| H2 | C2 | C1 | H1 | 5.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | C7 | 179.9° | 180.0° |
| H1 | C1 | C6 | C5 | 178.0° | 179.7° |
| H1 | C1 | C6 | H6 | 2.0° | 0.0° |
| C6 | C5 | C7 | H71 | 124.4° | 90.0° |
| C6 | C5 | C7 | H72 | 0.9° | 150.0° |
| C6 | C5 | C7 | H73 | 126.1° | 30.0° |
| H6 | C6 | C5 | C7 | 0.1° | 0.3° |
| C5 | C7 | H71 | H72 | 131.6° | 120.0° |
| C5 | C7 | H71 | H73 | 114.2° | 120.0° |
| C5 | C7 | H72 | H73 | 125.2° | 120.0° |
| H71 | C7 | H72 | H73 | 109.5° | 120.0° |
| O9 | C10 | C11 | H101 | 125.3° | 120.0° |
| O9 | C10 | C11 | H102 | 125.3° | 120.0° |
| O9 | C10 | H101 | H102 | 117.4° | 120.0° |
| O9 | C10 | C11 | O12 | 169.0° | 0.0° |
| O9 | C10 | C11 | N13 | 32.0° | 180.0° |
| C11 | C10 | H101 | H102 | 117.4° | 120.0° |
| C10 | C11 | O12 | N13 | 157.2° | 180.0° |
| C10 | C11 | N13 | C14 | 172.5° | 180.0° |
| C10 | C11 | N13 | H13 | 7.5° | 0.0° |
| H101 | C10 | C11 | O12 | 65.7° | 120.0° |
| H101 | C10 | C11 | N13 | 93.3° | 60.0° |
| H102 | C10 | C11 | O12 | 43.8° | 120.0° |
| H102 | C10 | C11 | N13 | 157.2° | 60.0° |
| O12 | C11 | N13 | C14 | 15.1° | 0.0° |
| O12 | C11 | N13 | H13 | 164.9° | 179.9° |
| C11 | N13 | C14 | H13 | 180.0° | 180.0° |
| C11 | N13 | C14 | C16 | 140.0° | 85.0° |
| C11 | N13 | C14 | C23 | 98.9° | 155.0° |
| C11 | N13 | C14 | H14 | 20.4° | 35.0° |
| N13 | C14 | C16 | C23 | 120.2° | 120.0° |
| N13 | C14 | C16 | H14 | 120.5° | 120.0° |
| N13 | C14 | C23 | H14 | 120.5° | 120.0° |
| N13 | C14 | C16 | C15 | 57.4° | 65.0° |
| N13 | C14 | C16 | H161 | 177.3° | 55.0° |
| N13 | C14 | C16 | H162 | 67.8° | 175.0° |
| N13 | C14 | C23 | O38 | 77.6° | 65.0° |
| N13 | C14 | C23 | C24 | 164.4° | 175.0° |
| N13 | C14 | C23 | H23 | 43.3° | 55.0° |
| H13 | N13 | C14 | C16 | 40.0° | 95.0° |
| H13 | N13 | C14 | C23 | 81.1° | 25.0° |
| H13 | N13 | C14 | H14 | 159.6° | 145.0° |
| C16 | C14 | C23 | H14 | 119.6° | 120.0° |
| C14 | C16 | C15 | H161 | 125.3° | 120.0° |
| C14 | C16 | C15 | H162 | 125.3° | 120.0° |
| C14 | C16 | H161 | H162 | 119.2° | 120.0° |
| C14 | C16 | C15 | C42 | 61.0° | 89.9° |
| C14 | C16 | C15 | C46 | 119.8° | 90.3° |
| C16 | C14 | C23 | O38 | 42.3° | 55.0° |
| C16 | C14 | C23 | C24 | 75.7° | 65.0° |
| C16 | C14 | C23 | H23 | 163.2° | 175.0° |
| C23 | C14 | C16 | C15 | 177.7° | 175.0° |
| C23 | C14 | C16 | H161 | 57.1° | 65.0° |
| C23 | C14 | C16 | H162 | 52.4° | 55.0° |
| C14 | C23 | O38 | C24 | 116.5° | 120.0° |
| C14 | C23 | O38 | H23 | 122.3° | 119.9° |
| C14 | C23 | C24 | H23 | 122.2° | 120.0° |
| C14 | C23 | O38 | H38 | 180.0° | 60.1° |
| C14 | C23 | C24 | C25 | 75.1° | 175.0° |
| C14 | C23 | C24 | H241 | 159.6° | 65.0° |
| C14 | C23 | C24 | H242 | 50.1° | 55.0° |
| H14 | C14 | C16 | C15 | 63.1° | 55.0° |
| H14 | C14 | C16 | H161 | 62.2° | 175.0° |
| H14 | C14 | C16 | H162 | 171.7° | 65.0° |
| H14 | C14 | C23 | O38 | 161.9° | 175.0° |
| H14 | C14 | C23 | C24 | 43.9° | 55.0° |
| H14 | C14 | C23 | H23 | 77.2° | 65.0° |
| C15 | C16 | H161 | H162 | 119.1° | 120.0° |
| C16 | C15 | C42 | C46 | 179.3° | 179.8° |
| C16 | C15 | C42 | C43 | 179.0° | 180.0° |
| C16 | C15 | C42 | H42 | 1.1° | 0.0° |
| C16 | C15 | C46 | C45 | 178.5° | 179.7° |
| C16 | C15 | C46 | H46 | 1.5° | 0.2° |
| H161 | C16 | C15 | C42 | 64.3° | 30.0° |
| H161 | C16 | C15 | C46 | 115.0° | 149.8° |
| H162 | C16 | C15 | C42 | 173.8° | 150.0° |
| H162 | C16 | C15 | C46 | 5.5° | 29.8° |
| C15 | C42 | C43 | H42 | 180.0° | 180.0° |
| C15 | C42 | C43 | C44 | 1.2° | 0.0° |
| C15 | C42 | C43 | H43 | 178.8° | 180.0° |
| C42 | C15 | C46 | C45 | 2.2° | 0.5° |
| C42 | C15 | C46 | H46 | 177.8° | 179.9° |
| C46 | C15 | C42 | C43 | 1.8° | 0.2° |
| C46 | C15 | C42 | H42 | 178.2° | 179.8° |
| C15 | C46 | C45 | C44 | 2.1° | 0.5° |
| C15 | C46 | C45 | BR17 | 179.8° | 179.8° |
| C15 | C46 | C45 | H46 | 180.0° | 179.6° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 1.1° | 0.1° |
| C42 | C43 | C44 | H44 | 178.9° | 180.0° |
| H42 | C42 | C43 | C44 | 178.8° | 180.0° |
| H42 | C42 | C43 | H43 | 1.3° | 0.0° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C43 | C44 | C45 | BR17 | 179.6° | 180.0° |
| C43 | C44 | C45 | C46 | 1.6° | 0.3° |
| H43 | C43 | C44 | C45 | 178.9° | 180.0° |
| H43 | C43 | C44 | H44 | 1.2° | 0.0° |
| C44 | C45 | BR17 | C46 | 178.1° | 179.7° |
| C44 | C45 | C46 | H46 | 177.9° | 179.9° |
| H44 | C44 | C45 | BR17 | 0.4° | 0.1° |
| H44 | C44 | C45 | C46 | 178.4° | 179.8° |
| BR17 | C45 | C46 | H46 | 0.2° | 0.2° |
| O38 | C23 | C24 | H23 | 121.0° | 120.1° |
| O38 | C23 | C24 | C25 | 168.1° | 65.1° |
| O38 | C23 | C24 | H241 | 42.9° | 55.0° |
| O38 | C23 | C24 | H242 | 66.6° | 175.0° |
| C24 | C23 | O38 | H38 | 63.5° | 59.9° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 119.9° |
| C23 | C24 | H241 | H242 | 116.5° | 120.0° |
| C23 | C24 | C25 | S30 | 115.2° | 64.9° |
| C23 | C24 | C25 | C26 | 100.1° | 175.0° |
| C23 | C24 | C25 | H25 | 6.0° | 55.0° |
| H23 | C23 | O38 | H38 | 57.7° | 180.0° |
| H23 | C23 | C24 | C25 | 47.1° | 55.0° |
| H23 | C23 | C24 | H241 | 78.1° | 175.1° |
| H23 | C23 | C24 | H242 | 172.4° | 64.9° |
| C25 | C24 | H241 | H242 | 116.5° | 120.0° |
| C24 | C25 | S30 | C26 | 144.3° | 120.0° |
| C24 | C25 | S30 | H25 | 110.2° | 120.0° |
| C24 | C25 | C26 | H25 | 109.0° | 120.0° |
| C24 | C25 | S30 | O39 | 30.7° | 64.9° |
| C24 | C25 | S30 | O40 | 160.6° | 75.6° |
| C24 | C25 | S30 | C31 | 85.1° | 174.6° |
| C24 | C25 | C26 | C27 | 74.6° | 65.9° |
| C24 | C25 | C26 | H261 | 50.6° | 54.1° |
| C24 | C25 | C26 | H262 | 160.1° | 174.1° |
| H241 | C24 | C25 | S30 | 119.5° | 175.0° |
| H241 | C24 | C25 | C26 | 25.2° | 55.0° |
| H241 | C24 | C25 | H25 | 131.3° | 65.0° |
| H242 | C24 | C25 | S30 | 10.1° | 55.0° |
| H242 | C24 | C25 | C26 | 134.6° | 65.1° |
| H242 | C24 | C25 | H25 | 119.2° | 175.0° |
| S30 | C25 | C26 | H25 | 107.4° | 119.9° |
| C25 | S30 | O39 | O40 | 125.5° | 135.8° |
| C25 | S30 | O39 | C31 | 117.1° | 109.9° |
| C25 | S30 | O40 | C31 | 115.7° | 110.0° |
| C25 | S30 | C31 | C32 | 89.8° | 93.4° |
| C25 | S30 | C31 | C36 | 91.0° | 86.9° |
| S30 | C25 | C26 | C27 | 141.8° | 174.1° |
| S30 | C25 | C26 | H261 | 93.0° | 65.9° |
| S30 | C25 | C26 | H262 | 16.5° | 54.1° |
| C26 | C25 | S30 | O39 | 175.0° | 55.1° |
| C26 | C25 | S30 | O40 | 55.1° | 164.3° |
| C26 | C25 | S30 | C31 | 59.2° | 54.6° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 116.3° | 120.0° |
| C25 | C26 | C27 | C28 | 170.6° | 65.0° |
| C25 | C26 | C27 | C29 | 72.1° | 175.0° |
| C25 | C26 | C27 | H27 | 49.0° | 54.9° |
| H25 | C25 | S30 | O39 | 79.5° | 175.1° |
| H25 | C25 | S30 | O40 | 50.4° | 44.4° |
| H25 | C25 | S30 | C31 | 164.8° | 65.4° |
| H25 | C25 | C26 | C27 | 34.4° | 54.1° |
| H25 | C25 | C26 | H261 | 159.6° | 174.1° |
| H25 | C25 | C26 | H262 | 90.9° | 65.9° |
| O39 | S30 | O40 | C31 | 117.3° | 114.3° |
| O39 | S30 | C31 | C32 | 29.7° | 150.4° |
| O39 | S30 | C31 | C36 | 149.5° | 29.3° |
| O40 | S30 | C31 | C32 | 154.1° | 22.7° |
| O40 | S30 | C31 | C36 | 25.0° | 156.9° |
| S30 | C31 | C32 | C36 | 179.2° | 179.7° |
| S30 | C31 | C32 | C33 | 179.5° | 180.0° |
| S30 | C31 | C32 | H32 | 0.5° | 0.0° |
| S30 | C31 | C36 | C35 | 179.9° | 179.7° |
| S30 | C31 | C36 | H36 | 0.1° | 0.3° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.3° | 0.1° |
| C31 | C32 | C33 | H33 | 179.7° | 179.9° |
| C32 | C31 | C36 | C35 | 0.7° | 0.6° |
| C32 | C31 | C36 | H36 | 179.3° | 180.0° |
| C36 | C31 | C32 | C33 | 0.3° | 0.4° |
| C36 | C31 | C32 | H32 | 179.7° | 179.7° |
| C31 | C36 | C35 | C34 | 1.1° | 0.6° |
| C31 | C36 | C35 | H36 | 180.0° | 179.4° |
| C31 | C36 | C35 | H35 | 178.9° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | F37 | 176.9° | 180.0° |
| C32 | C33 | C34 | C35 | 0.7° | 0.0° |
| H32 | C32 | C33 | C34 | 179.7° | 180.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.0° |
| C33 | C34 | F37 | C35 | 176.3° | 180.0° |
| C33 | C34 | C35 | C36 | 1.1° | 0.3° |
| C33 | C34 | C35 | H35 | 178.9° | 180.0° |
| H33 | C33 | C34 | F37 | 3.1° | 0.1° |
| H33 | C33 | C34 | C35 | 179.3° | 180.0° |
| F37 | C34 | C35 | C36 | 177.4° | 179.7° |
| F37 | C34 | C35 | H35 | 2.6° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.7° |
| C34 | C35 | C36 | H36 | 178.9° | 180.0° |
| H35 | C35 | C36 | H36 | 1.1° | 0.3° |
| C27 | C26 | H261 | H262 | 116.3° | 120.0° |
| C26 | C27 | C28 | C29 | 118.9° | 120.0° |
| C26 | C27 | C28 | H27 | 120.1° | 120.0° |
| C26 | C27 | C29 | H27 | 120.2° | 120.0° |
| C26 | C27 | C28 | H281 | 54.7° | 174.6° |
| C26 | C27 | C28 | H282 | 180.0° | 65.3° |
| C26 | C27 | C28 | H283 | 54.7° | 54.6° |
| C26 | C27 | C29 | H291 | 54.7° | 60.0° |
| C26 | C27 | C29 | H292 | 180.0° | 60.0° |
| C26 | C27 | C29 | H293 | 54.7° | 180.0° |
| H261 | C26 | C27 | C28 | 45.4° | 175.0° |
| H261 | C26 | C27 | C29 | 162.7° | 55.0° |
| H261 | C26 | C27 | H27 | 76.3° | 65.1° |
| H262 | C26 | C27 | C28 | 64.1° | 55.0° |
| H262 | C26 | C27 | C29 | 53.2° | 65.0° |
| H262 | C26 | C27 | H27 | 174.2° | 175.0° |
| C28 | C27 | C29 | H27 | 121.6° | 120.0° |
| C27 | C28 | H281 | H282 | 123.3° | 120.1° |
| C27 | C28 | H281 | H283 | 118.3° | 120.0° |
| C27 | C28 | H282 | H283 | 125.3° | 119.9° |
| C28 | C27 | C29 | H291 | 63.5° | 60.0° |
| C28 | C27 | C29 | H292 | 61.7° | 180.0° |
| C28 | C27 | C29 | H293 | 173.0° | 60.0° |
| C29 | C27 | C28 | H281 | 173.7° | 54.6° |
| C29 | C27 | C28 | H282 | 61.1° | 174.7° |
| C29 | C27 | C28 | H283 | 64.2° | 65.4° |
| C27 | C29 | H291 | H292 | 124.1° | 120.0° |
| C27 | C29 | H291 | H293 | 118.0° | 120.0° |
| C27 | C29 | H292 | H293 | 125.3° | 120.0° |
| H27 | C27 | C28 | H281 | 65.4° | 65.4° |
| H27 | C27 | C28 | H282 | 59.8° | 54.7° |
| H27 | C27 | C28 | H283 | 174.9° | 174.6° |
| H27 | C27 | C29 | H291 | 174.9° | 180.0° |
| H27 | C27 | C29 | H292 | 59.8° | 60.0° |
| H27 | C27 | C29 | H293 | 65.4° | 60.0° |
| H281 | C28 | H282 | H283 | 109.5° | 120.0° |
| H291 | C29 | H292 | H293 | 109.5° | 120.0° |
