A1L8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.34Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.38Å | |
| C03 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | C27 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | sing | 1.38Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.89Å | |
| O07 | C25 | sing | 1.43Å | 1.36Å | |
| SI08 | C09 | sing | 1.87Å | 1.89Å | |
| SI08 | C10 | sing | 1.86Å | 1.87Å | |
| SI08 | C11 | sing | 1.87Å | 1.88Å | |
| C09 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C29 | doub | 1.38Å | 1.36Å | Aromatic |
| C11 | C33 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.36Å | Aromatic |
| C13 | C28 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C19 | O24 | sing | 1.43Å | 1.37Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C36 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O39 | sing | 1.43Å | 1.37Å | |
| C29 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.36Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.36Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | O37 | doub | 1.21Å | 1.22Å | |
| C34 | O38 | sing | 1.34Å | 1.24Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O38 | H1 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.8° | 119.9° |
| C01 | C02 | C03 | 118.3° | 119.9° |
| C01 | C02 | O07 | 126.6° | 120.0° |
| C02 | C01 | H011 | 120.1° | 120.0° |
| C01 | C06 | C05 | 121.4° | 120.0° |
| C06 | C01 | H011 | 120.1° | 120.0° |
| C01 | C06 | H061 | 119.3° | 120.0° |
| C03 | C02 | O07 | 115.1° | 120.1° |
| C02 | C03 | C04 | 121.7° | 120.0° |
| C02 | C03 | C27 | 117.1° | 120.0° |
| C02 | O07 | C25 | 123.0° | 117.1° |
| C04 | C03 | C27 | 121.2° | 120.0° |
| C03 | C04 | C05 | 121.2° | 120.1° |
| C03 | C04 | H041 | 119.4° | 120.0° |
| C03 | C27 | H271 | 109.5° | 109.5° |
| C03 | C27 | H273 | 109.5° | 109.5° |
| C03 | C27 | H272 | 109.4° | 109.4° |
| C04 | C05 | C06 | 117.5° | 120.1° |
| C04 | C05 | SI08 | 119.4° | 119.9° |
| C05 | C04 | H041 | 119.4° | 120.0° |
| C06 | C05 | SI08 | 123.1° | 119.9° |
| C05 | C06 | H061 | 119.3° | 120.0° |
| C05 | SI08 | C09 | 113.1° | 109.5° |
| C05 | SI08 | C10 | 109.0° | 109.5° |
| C05 | SI08 | C11 | 108.7° | 109.5° |
| O07 | C25 | C26 | 107.0° | 109.5° |
| O07 | C25 | H251 | 110.1° | 109.5° |
| O07 | C25 | H252 | 110.1° | 109.5° |
| C09 | SI08 | C10 | 108.4° | 109.5° |
| C09 | SI08 | C11 | 106.2° | 109.5° |
| SI08 | C09 | C12 | 120.8° | 119.9° |
| SI08 | C09 | C16 | 120.9° | 120.0° |
| C10 | SI08 | C11 | 111.4° | 109.4° |
| SI08 | C10 | H101 | 109.5° | 109.5° |
| SI08 | C10 | H103 | 109.5° | 109.5° |
| SI08 | C10 | H102 | 109.4° | 109.4° |
| SI08 | C11 | C29 | 120.6° | 120.0° |
| SI08 | C11 | C33 | 120.1° | 120.0° |
| C12 | C09 | C16 | 118.3° | 120.1° |
| C09 | C12 | C13 | 120.6° | 120.1° |
| C09 | C12 | H121 | 119.7° | 119.9° |
| C09 | C16 | C15 | 120.8° | 120.0° |
| C09 | C16 | H161 | 119.6° | 120.0° |
| C29 | C11 | C33 | 119.3° | 120.1° |
| C11 | C29 | C30 | 119.7° | 120.0° |
| C11 | C29 | H291 | 120.1° | 120.0° |
| C11 | C33 | C32 | 121.1° | 120.0° |
| C11 | C33 | H331 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.9° | 119.9° |
| C12 | C13 | C28 | 121.4° | 120.1° |
| C13 | C12 | H121 | 119.7° | 120.0° |
| C14 | C13 | C28 | 117.7° | 120.0° |
| C13 | C14 | C15 | 119.5° | 119.9° |
| C13 | C14 | O17 | 117.7° | 120.1° |
| C13 | C28 | H282 | 109.5° | 109.5° |
| C13 | C28 | H281 | 109.5° | 109.5° |
| C13 | C28 | H283 | 109.4° | 109.5° |
| C15 | C14 | O17 | 122.8° | 120.0° |
| C14 | C15 | C16 | 119.8° | 119.9° |
| C14 | C15 | H151 | 120.1° | 120.0° |
| C14 | O17 | C18 | 118.4° | 117.0° |
| C16 | C15 | H151 | 120.1° | 120.0° |
| C15 | C16 | H161 | 119.6° | 120.0° |
| O17 | C18 | C19 | 108.5° | 109.5° |
| O17 | C18 | H181 | 109.7° | 109.4° |
| O17 | C18 | H182 | 109.7° | 109.5° |
| C18 | C19 | C20 | 109.9° | 109.4° |
| C18 | C19 | C22 | 107.0° | 109.5° |
| C18 | C19 | O24 | 111.0° | 109.5° |
| C19 | C18 | H181 | 109.7° | 109.5° |
| C19 | C18 | H182 | 109.7° | 109.5° |
| C20 | C19 | C22 | 113.2° | 109.5° |
| C20 | C19 | O24 | 105.7° | 109.5° |
| C19 | C20 | C21 | 113.6° | 109.5° |
| C19 | C20 | H202 | 108.5° | 109.5° |
| C19 | C20 | H201 | 108.4° | 109.5° |
| C22 | C19 | O24 | 110.1° | 109.5° |
| C19 | C22 | C23 | 113.8° | 109.5° |
| C19 | C22 | H221 | 108.4° | 109.5° |
| C19 | C22 | H222 | 108.4° | 109.5° |
| C19 | O24 | H241 | 109.5° | 114.0° |
| C21 | C20 | H202 | 108.4° | 109.5° |
| C21 | C20 | H201 | 108.4° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C23 | C22 | H221 | 108.4° | 109.5° |
| C23 | C22 | H222 | 108.4° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.4° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.4° | 109.5° |
| C25 | C26 | C36 | 110.1° | 109.5° |
| C25 | C26 | O39 | 105.6° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C26 | C25 | H251 | 110.1° | 109.4° |
| C26 | C25 | H252 | 110.1° | 109.5° |
| C36 | C26 | O39 | 110.9° | 109.5° |
| C26 | C36 | C35 | 111.6° | 109.5° |
| C36 | C26 | H261 | 109.3° | 109.5° |
| C26 | C36 | H361 | 108.9° | 109.5° |
| C26 | C36 | H362 | 109.0° | 109.5° |
| O39 | C26 | H261 | 111.5° | 109.4° |
| C26 | O39 | H391 | 109.5° | 114.0° |
| C29 | C30 | C31 | 120.9° | 120.0° |
| C30 | C29 | H291 | 120.2° | 120.0° |
| C29 | C30 | H301 | 119.6° | 120.0° |
| C30 | C31 | C32 | 119.5° | 120.0° |
| C31 | C30 | H301 | 119.6° | 120.0° |
| C30 | C31 | H311 | 120.3° | 120.0° |
| C31 | C32 | C33 | 119.6° | 120.0° |
| C32 | C31 | H311 | 120.3° | 120.0° |
| C31 | C32 | H321 | 120.2° | 120.0° |
| C33 | C32 | H321 | 120.2° | 120.0° |
| C32 | C33 | H331 | 119.4° | 120.0° |
| C35 | C34 | O37 | 118.4° | 120.0° |
| C35 | C34 | O38 | 122.4° | 120.0° |
| C34 | C35 | C36 | 111.7° | 109.5° |
| C34 | C35 | H351 | 108.9° | 109.5° |
| C34 | C35 | H352 | 108.9° | 109.5° |
| O37 | C34 | O38 | 119.1° | 120.0° |
| C34 | O38 | H1 | 109.5° | 117.0° |
| C36 | C35 | H351 | 108.9° | 109.4° |
| C36 | C35 | H352 | 108.9° | 109.4° |
| C35 | C36 | H361 | 108.9° | 109.5° |
| C35 | C36 | H362 | 108.9° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H213 | C21 | H211 | 109.4° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | O07 | 179.1° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | C27 | 179.9° | 180.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C01 | C02 | O07 | C25 | 2.7° | 0.0° |
| C02 | C01 | C06 | H061 | 179.4° | 180.0° |
| C06 | C01 | C02 | C03 | 0.6° | 0.0° |
| C06 | C01 | C02 | O07 | 179.6° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI08 | 179.4° | 180.0° |
| C02 | C03 | C04 | C27 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | O07 | C25 | 178.3° | 180.0° |
| C03 | C02 | C01 | H011 | 179.4° | 179.7° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C02 | C03 | C27 | H271 | 89.9° | 90.0° |
| C02 | C03 | C27 | H273 | 150.1° | 150.0° |
| C02 | C03 | C27 | H272 | 30.1° | 30.0° |
| O07 | C02 | C03 | C04 | 179.5° | 180.0° |
| O07 | C02 | C03 | C27 | 0.8° | 0.0° |
| C02 | O07 | C25 | C26 | 147.2° | 180.0° |
| O07 | C02 | C01 | H011 | 0.4° | 0.3° |
| C02 | O07 | C25 | H251 | 27.6° | 60.0° |
| C02 | O07 | C25 | H252 | 93.2° | 59.9° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | SI08 | 179.7° | 180.0° |
| C04 | C03 | C27 | H271 | 89.8° | 90.0° |
| C04 | C03 | C27 | H273 | 30.1° | 30.1° |
| C04 | C03 | C27 | H272 | 150.2° | 150.0° |
| C27 | C03 | C04 | C05 | 179.8° | 180.0° |
| C27 | C03 | C04 | H041 | 0.2° | 0.0° |
| C03 | C27 | H271 | H273 | 120.0° | 120.0° |
| C03 | C27 | H271 | H272 | 120.0° | 120.0° |
| C03 | C27 | H273 | H272 | 120.0° | 119.9° |
| C04 | C05 | C06 | SI08 | 179.6° | 180.0° |
| C04 | C05 | SI08 | C09 | 150.1° | 90.0° |
| C04 | C05 | SI08 | C10 | 89.3° | 150.0° |
| C04 | C05 | SI08 | C11 | 32.4° | 30.0° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C06 | C05 | SI08 | C09 | 30.3° | 90.0° |
| C06 | C05 | SI08 | C10 | 90.3° | 30.0° |
| C06 | C05 | SI08 | C11 | 148.0° | 150.0° |
| C05 | C06 | C01 | H011 | 179.4° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 180.0° |
| C05 | SI08 | C09 | C10 | 121.0° | 120.0° |
| C05 | SI08 | C09 | C11 | 119.1° | 120.0° |
| C05 | SI08 | C10 | C11 | 120.0° | 120.0° |
| C05 | SI08 | C09 | C12 | 77.5° | 72.7° |
| C05 | SI08 | C09 | C16 | 104.1° | 106.7° |
| C05 | SI08 | C11 | C29 | 134.4° | 96.4° |
| C05 | SI08 | C11 | C33 | 47.8° | 83.3° |
| C05 | SI08 | C10 | H101 | 180.0° | 59.9° |
| C05 | SI08 | C10 | H103 | 60.0° | 180.0° |
| C05 | SI08 | C10 | H102 | 60.0° | 60.0° |
| SI08 | C05 | C04 | H041 | 0.3° | 0.0° |
| SI08 | C05 | C06 | H061 | 0.6° | 0.0° |
| O07 | C25 | C26 | H251 | 119.6° | 120.0° |
| O07 | C25 | C26 | H252 | 119.6° | 120.1° |
| O07 | C25 | C26 | C36 | 174.3° | 175.0° |
| O07 | C25 | C26 | O39 | 66.0° | 65.0° |
| O07 | C25 | C26 | H261 | 54.1° | 54.9° |
| O07 | C25 | H251 | H252 | 121.2° | 120.0° |
| C09 | SI08 | C10 | C11 | 116.5° | 120.0° |
| SI08 | C09 | C12 | C16 | 178.5° | 179.4° |
| C09 | SI08 | C11 | C29 | 103.5° | 143.6° |
| C09 | SI08 | C11 | C33 | 74.2° | 36.7° |
| SI08 | C09 | C12 | C13 | 179.5° | 180.0° |
| SI08 | C09 | C16 | C15 | 179.8° | 179.7° |
| C09 | SI08 | C10 | H101 | 56.5° | 179.9° |
| C09 | SI08 | C10 | H103 | 63.5° | 60.0° |
| C09 | SI08 | C10 | H102 | 176.5° | 60.1° |
| SI08 | C09 | C12 | H121 | 0.5° | 0.0° |
| SI08 | C09 | C16 | H161 | 0.2° | 0.2° |
| C10 | SI08 | C09 | C12 | 43.5° | 167.3° |
| C10 | SI08 | C09 | C16 | 134.9° | 13.3° |
| C10 | SI08 | C11 | C29 | 14.3° | 23.6° |
| C10 | SI08 | C11 | C33 | 167.9° | 156.7° |
| SI08 | C10 | H101 | H103 | 120.0° | 120.1° |
| SI08 | C10 | H101 | H102 | 120.0° | 119.9° |
| SI08 | C10 | H103 | H102 | 120.0° | 120.0° |
| C11 | SI08 | C09 | C12 | 163.4° | 47.3° |
| C11 | SI08 | C09 | C16 | 15.1° | 133.3° |
| SI08 | C11 | C29 | C33 | 177.8° | 179.7° |
| SI08 | C11 | C29 | C30 | 178.6° | 179.7° |
| SI08 | C11 | C33 | C32 | 178.9° | 179.7° |
| C11 | SI08 | C10 | H101 | 60.0° | 60.1° |
| C11 | SI08 | C10 | H103 | 180.0° | 60.0° |
| C11 | SI08 | C10 | H102 | 60.0° | 180.0° |
| SI08 | C11 | C29 | H291 | 1.4° | 0.3° |
| SI08 | C11 | C33 | H331 | 1.2° | 0.3° |
| C09 | C12 | C13 | H121 | 180.0° | 180.0° |
| C09 | C12 | C13 | C14 | 1.6° | 0.0° |
| C09 | C12 | C13 | C28 | 179.0° | 179.8° |
| C12 | C09 | C16 | C15 | 1.7° | 0.9° |
| C12 | C09 | C16 | H161 | 178.3° | 179.2° |
| C16 | C09 | C12 | C13 | 2.1° | 0.5° |
| C09 | C16 | C15 | C14 | 0.9° | 0.6° |
| C09 | C16 | C15 | H161 | 180.0° | 179.9° |
| C09 | C16 | C15 | H151 | 179.1° | 180.0° |
| C16 | C09 | C12 | H121 | 178.0° | 179.4° |
| C11 | C29 | C30 | H291 | 180.0° | 179.9° |
| C11 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C11 | C33 | C32 | 1.1° | 0.0° |
| C11 | C29 | C30 | H301 | 179.9° | 180.0° |
| C29 | C11 | C33 | H331 | 179.0° | 180.0° |
| C33 | C11 | C29 | C30 | 0.8° | 0.0° |
| C11 | C33 | C32 | C31 | 0.3° | 0.1° |
| C11 | C33 | C32 | H331 | 180.0° | 180.0° |
| C33 | C11 | C29 | H291 | 179.2° | 180.0° |
| C11 | C33 | C32 | H321 | 179.7° | 180.0° |
| C12 | C13 | C14 | C28 | 179.4° | 179.7° |
| C12 | C13 | C14 | C15 | 0.7° | 0.3° |
| C12 | C13 | C14 | O17 | 179.7° | 179.7° |
| C12 | C13 | C28 | H282 | 89.7° | 89.7° |
| C12 | C13 | C28 | H281 | 150.3° | 30.3° |
| C12 | C13 | C28 | H283 | 30.3° | 150.3° |
| C13 | C14 | C15 | O17 | 179.6° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | O17 | C18 | 178.0° | 180.0° |
| C13 | C14 | C15 | H151 | 179.6° | 179.4° |
| C14 | C13 | C28 | H282 | 89.7° | 90.0° |
| C14 | C13 | C28 | H281 | 30.3° | 150.0° |
| C14 | C13 | C28 | H283 | 150.3° | 30.0° |
| C14 | C13 | C12 | H121 | 178.4° | 180.0° |
| C28 | C13 | C14 | C15 | 179.8° | 180.0° |
| C28 | C13 | C14 | O17 | 0.2° | 0.0° |
| C13 | C28 | H282 | H281 | 120.0° | 120.0° |
| C13 | C28 | H282 | H283 | 120.0° | 120.0° |
| C13 | C28 | H281 | H283 | 120.0° | 120.1° |
| C28 | C13 | C12 | H121 | 1.0° | 0.3° |
| C14 | C15 | C16 | H151 | 180.0° | 179.4° |
| C15 | C14 | O17 | C18 | 2.4° | 0.0° |
| C14 | C15 | C16 | H161 | 179.1° | 179.5° |
| O17 | C14 | C15 | C16 | 180.0° | 180.0° |
| C14 | O17 | C18 | C19 | 176.5° | 180.0° |
| O17 | C14 | C15 | H151 | 0.0° | 0.5° |
| C14 | O17 | C18 | H181 | 56.6° | 60.0° |
| C14 | O17 | C18 | H182 | 63.6° | 60.0° |
| O17 | C18 | C19 | H181 | 119.9° | 119.9° |
| O17 | C18 | C19 | H182 | 119.9° | 120.0° |
| O17 | C18 | C19 | C20 | 58.4° | 55.6° |
| O17 | C18 | C19 | C22 | 178.3° | 175.6° |
| O17 | C18 | C19 | O24 | 58.2° | 64.4° |
| O17 | C18 | H181 | H182 | 120.4° | 120.0° |
| C18 | C19 | C20 | C22 | 119.6° | 120.0° |
| C18 | C19 | C20 | O24 | 119.8° | 120.0° |
| C18 | C19 | C22 | O24 | 120.7° | 120.0° |
| C18 | C19 | C20 | C21 | 62.2° | 63.3° |
| C18 | C19 | C22 | C23 | 178.9° | 175.0° |
| C18 | C19 | C20 | H202 | 58.4° | 56.7° |
| C18 | C19 | C20 | H201 | 177.2° | 176.7° |
| C18 | C19 | C22 | H221 | 58.3° | 55.0° |
| C18 | C19 | C22 | H222 | 60.4° | 65.0° |
| C19 | C18 | H181 | H182 | 120.4° | 120.0° |
| C18 | C19 | O24 | H241 | 180.0° | 60.1° |
| C20 | C19 | C22 | O24 | 118.1° | 120.0° |
| C19 | C20 | C21 | H202 | 120.6° | 120.0° |
| C19 | C20 | C21 | H201 | 120.6° | 120.0° |
| C20 | C19 | C22 | C23 | 59.8° | 55.0° |
| C19 | C20 | H202 | H201 | 118.2° | 120.0° |
| C19 | C20 | C21 | H213 | 180.0° | 176.3° |
| C19 | C20 | C21 | H211 | 60.0° | 63.7° |
| C19 | C20 | C21 | H212 | 60.0° | 56.3° |
| C20 | C19 | C22 | H221 | 179.5° | 65.0° |
| C20 | C19 | C22 | H222 | 60.8° | 175.0° |
| C20 | C19 | C18 | H181 | 178.3° | 175.5° |
| C20 | C19 | C18 | H182 | 61.5° | 64.4° |
| C20 | C19 | O24 | H241 | 60.9° | 180.0° |
| C22 | C19 | C20 | C21 | 57.4° | 56.7° |
| C19 | C22 | C23 | H221 | 120.6° | 120.0° |
| C19 | C22 | C23 | H222 | 120.6° | 120.0° |
| C22 | C19 | C20 | H202 | 178.0° | 176.7° |
| C22 | C19 | C20 | H201 | 63.2° | 63.3° |
| C19 | C22 | H221 | H222 | 118.0° | 120.0° |
| C22 | C19 | C18 | H181 | 58.4° | 64.5° |
| C22 | C19 | C18 | H182 | 61.8° | 55.6° |
| C19 | C22 | C23 | H231 | 180.0° | 60.0° |
| C19 | C22 | C23 | H233 | 60.0° | 60.0° |
| C19 | C22 | C23 | H232 | 60.0° | 180.0° |
| C22 | C19 | O24 | H241 | 61.7° | 60.0° |
| O24 | C19 | C20 | C21 | 178.0° | 176.7° |
| O24 | C19 | C22 | C23 | 58.2° | 65.0° |
| O24 | C19 | C20 | H202 | 61.4° | 63.3° |
| O24 | C19 | C20 | H201 | 57.4° | 56.7° |
| O24 | C19 | C22 | H221 | 62.4° | 175.0° |
| O24 | C19 | C22 | H222 | 178.8° | 55.0° |
| O24 | C19 | C18 | H181 | 61.7° | 55.6° |
| O24 | C19 | C18 | H182 | 178.0° | 175.6° |
| C21 | C20 | H202 | H201 | 118.1° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C23 | C22 | H221 | H222 | 118.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C25 | C26 | C36 | O39 | 116.4° | 120.0° |
| C25 | C26 | C36 | H261 | 120.3° | 120.0° |
| C25 | C26 | O39 | H261 | 118.8° | 119.9° |
| C25 | C26 | C36 | C35 | 171.0° | 175.0° |
| C26 | C25 | H251 | H252 | 121.1° | 119.9° |
| C25 | C26 | C36 | H361 | 68.7° | 65.0° |
| C25 | C26 | C36 | H362 | 50.7° | 55.0° |
| C25 | C26 | O39 | H391 | 180.0° | 60.1° |
| C36 | C26 | O39 | H261 | 122.0° | 120.0° |
| C26 | C36 | C35 | C34 | 171.1° | 180.0° |
| C26 | C36 | C35 | H361 | 120.3° | 120.0° |
| C26 | C36 | C35 | H362 | 120.3° | 120.0° |
| C36 | C26 | C25 | H251 | 66.1° | 55.0° |
| C36 | C26 | C25 | H252 | 54.7° | 64.9° |
| C26 | C36 | C35 | H351 | 50.7° | 60.0° |
| C26 | C36 | C35 | H352 | 68.6° | 60.0° |
| C26 | C36 | H361 | H362 | 119.1° | 120.0° |
| C36 | C26 | O39 | H391 | 60.8° | 60.0° |
| O39 | C26 | C36 | C35 | 72.5° | 65.0° |
| O39 | C26 | C25 | H251 | 53.6° | 175.0° |
| O39 | C26 | C25 | H252 | 174.4° | 55.1° |
| O39 | C26 | C36 | H361 | 47.8° | 55.0° |
| O39 | C26 | C36 | H362 | 167.1° | 175.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.8° | 0.0° |
| C29 | C30 | C31 | H311 | 179.2° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.6° | 0.1° |
| C31 | C30 | C29 | H291 | 179.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.4° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C32 | C31 | C30 | H301 | 179.2° | 180.0° |
| C31 | C32 | C33 | H331 | 179.7° | 179.9° |
| C33 | C32 | C31 | H311 | 179.4° | 179.9° |
| C35 | C34 | O37 | O38 | 178.9° | 180.0° |
| C34 | C35 | C36 | H351 | 120.4° | 120.0° |
| C34 | C35 | C36 | H352 | 120.3° | 120.0° |
| C34 | C35 | H351 | H352 | 118.9° | 120.1° |
| C34 | C35 | C36 | H361 | 50.8° | 60.0° |
| C34 | C35 | C36 | H362 | 68.6° | 60.0° |
| C35 | C34 | O38 | H1 | 178.9° | 180.0° |
| O37 | C34 | C35 | C36 | 49.9° | 0.0° |
| O37 | C34 | C35 | H351 | 70.4° | 120.0° |
| O37 | C34 | C35 | H352 | 170.3° | 119.9° |
| O37 | C34 | O38 | H1 | 0.0° | 0.0° |
| O38 | C34 | C35 | C36 | 131.2° | 180.0° |
| O38 | C34 | C35 | H351 | 108.4° | 60.1° |
| O38 | C34 | C35 | H352 | 10.9° | 60.0° |
| C35 | C36 | C26 | H261 | 50.7° | 55.0° |
| C36 | C35 | H351 | H352 | 119.0° | 120.0° |
| C35 | C36 | H361 | H362 | 119.0° | 120.0° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H151 | C15 | C16 | H161 | 0.9° | 0.1° |
| H202 | C20 | C21 | H213 | 59.4° | 63.6° |
| H202 | C20 | C21 | H211 | 179.4° | 56.3° |
| H202 | C20 | C21 | H212 | 60.6° | 176.3° |
| H201 | C20 | C21 | H213 | 59.4° | 56.3° |
| H201 | C20 | C21 | H211 | 60.6° | 176.3° |
| H201 | C20 | C21 | H212 | 179.4° | 63.7° |
| H213 | C21 | H211 | H212 | 120.0° | 120.1° |
| H221 | C22 | C23 | H231 | 59.3° | 180.0° |
| H221 | C22 | C23 | H233 | 179.3° | 60.0° |
| H221 | C22 | C23 | H232 | 60.6° | 60.0° |
| H222 | C22 | C23 | H231 | 59.4° | 60.0° |
| H222 | C22 | C23 | H233 | 60.6° | 180.0° |
| H222 | C22 | C23 | H232 | 179.4° | 60.0° |
| H261 | C26 | C25 | H251 | 173.7° | 65.1° |
| H261 | C26 | C25 | H252 | 65.5° | 175.0° |
| H261 | C26 | C36 | H361 | 171.0° | 175.0° |
| H261 | C26 | C36 | H362 | 69.6° | 65.0° |
| H261 | C26 | O39 | H391 | 61.2° | 180.0° |
| H282 | C28 | H281 | H283 | 120.0° | 120.0° |
| H011 | C01 | C06 | H061 | 0.6° | 0.3° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H271 | C27 | H273 | H272 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 0.1° | 0.0° |
| H301 | C30 | C31 | H311 | 0.8° | 0.0° |
| H311 | C31 | C32 | H321 | 0.6° | 0.0° |
| H321 | C32 | C33 | H331 | 0.3° | 0.0° |
| H351 | C35 | C36 | H361 | 69.6° | 60.0° |
| H351 | C35 | C36 | H362 | 171.1° | 180.0° |
| H352 | C35 | C36 | H361 | 171.1° | 180.0° |
| H352 | C35 | C36 | H362 | 51.8° | 60.0° |
