A1L8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.35Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.34Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.36Å | |
| C03 | C04 | doub | 1.38Å | 1.34Å | Aromatic |
| C03 | C27 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.38Å | 1.34Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.88Å | |
| O07 | C25 | sing | 1.43Å | 1.36Å | |
| SI08 | C09 | sing | 1.87Å | 1.91Å | |
| SI08 | C10 | sing | 1.86Å | 1.90Å | |
| SI08 | C11 | sing | 1.86Å | 1.84Å | |
| C09 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C35 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.36Å | Aromatic |
| C13 | C28 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C19 | O24 | sing | 1.43Å | 1.36Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C31 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | O34 | sing | 1.43Å | 1.35Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | O32 | doub | 1.21Å | 1.23Å | |
| C29 | O33 | sing | 1.34Å | 1.25Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.49Å | |
| 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 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | 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 | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| 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 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O33 | H1 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 117.8° | 120.0° |
| C01 | C02 | C03 | 119.7° | 119.9° |
| C01 | C02 | O07 | 121.7° | 120.1° |
| C02 | C01 | H011 | 121.1° | 120.0° |
| C01 | C06 | C05 | 121.1° | 120.0° |
| C06 | C01 | H011 | 121.1° | 120.0° |
| C01 | C06 | H061 | 119.5° | 120.0° |
| C03 | C02 | O07 | 118.6° | 120.1° |
| C02 | C03 | C04 | 123.2° | 120.0° |
| C02 | C03 | C27 | 118.2° | 120.1° |
| C02 | O07 | C25 | 113.0° | 117.0° |
| C04 | C03 | C27 | 118.6° | 120.0° |
| C03 | C04 | C05 | 117.3° | 120.0° |
| C03 | C04 | H041 | 121.3° | 120.0° |
| C03 | C27 | H271 | 109.5° | 109.5° |
| C03 | C27 | H272 | 109.5° | 109.5° |
| C03 | C27 | H273 | 109.5° | 109.4° |
| C04 | C05 | C06 | 120.8° | 120.1° |
| C04 | C05 | SI08 | 117.9° | 119.9° |
| C05 | C04 | H041 | 121.4° | 120.0° |
| C06 | C05 | SI08 | 121.1° | 119.9° |
| C05 | C06 | H061 | 119.5° | 120.0° |
| C05 | SI08 | C09 | 113.8° | 109.4° |
| C05 | SI08 | C10 | 102.7° | 109.5° |
| C05 | SI08 | C11 | 109.6° | 109.5° |
| O07 | C25 | C26 | 110.2° | 109.5° |
| O07 | C25 | H252 | 109.3° | 109.5° |
| O07 | C25 | H251 | 109.3° | 109.5° |
| C09 | SI08 | C10 | 107.8° | 109.5° |
| C09 | SI08 | C11 | 110.3° | 109.5° |
| SI08 | C09 | C12 | 117.6° | 119.9° |
| SI08 | C09 | C16 | 124.4° | 120.0° |
| C10 | SI08 | C11 | 112.6° | 109.5° |
| SI08 | C10 | H101 | 109.5° | 109.5° |
| SI08 | C10 | H103 | 109.5° | 109.4° |
| SI08 | C10 | H102 | 109.5° | 109.5° |
| SI08 | C11 | C35 | 105.4° | 109.4° |
| SI08 | C11 | H111 | 110.5° | 109.5° |
| SI08 | C11 | H112 | 110.5° | 109.5° |
| C12 | C09 | C16 | 117.9° | 120.1° |
| C09 | C12 | C13 | 121.4° | 120.0° |
| C09 | C12 | H121 | 119.3° | 120.0° |
| C09 | C16 | C15 | 120.7° | 120.1° |
| C09 | C16 | H161 | 119.6° | 120.0° |
| C11 | C35 | C36 | 103.5° | 109.4° |
| C35 | C11 | H111 | 110.5° | 109.5° |
| C35 | C11 | H112 | 110.5° | 109.5° |
| C11 | C35 | H351 | 111.0° | 109.5° |
| C11 | C35 | H352 | 110.9° | 109.5° |
| C12 | C13 | C14 | 121.8° | 119.9° |
| C12 | C13 | C28 | 119.8° | 120.1° |
| C13 | C12 | H121 | 119.3° | 120.0° |
| C14 | C13 | C28 | 118.4° | 120.0° |
| C13 | C14 | C15 | 117.2° | 119.9° |
| C13 | C14 | O17 | 117.2° | 120.1° |
| C13 | C28 | H282 | 109.5° | 109.5° |
| C13 | C28 | H281 | 109.5° | 109.4° |
| C13 | C28 | H283 | 109.5° | 109.5° |
| C15 | C14 | O17 | 125.6° | 120.1° |
| C14 | C15 | C16 | 120.9° | 119.9° |
| C14 | C15 | H151 | 119.5° | 120.1° |
| C14 | O17 | C18 | 121.9° | 117.0° |
| C16 | C15 | H151 | 119.5° | 120.0° |
| C15 | C16 | H161 | 119.6° | 120.0° |
| O17 | C18 | C19 | 108.7° | 109.4° |
| O17 | C18 | H181 | 109.7° | 109.5° |
| O17 | C18 | H182 | 109.7° | 109.5° |
| C18 | C19 | C20 | 106.0° | 109.4° |
| C18 | C19 | C22 | 111.4° | 109.5° |
| C18 | C19 | O24 | 111.9° | 109.5° |
| C19 | C18 | H181 | 109.7° | 109.4° |
| C19 | C18 | H182 | 109.7° | 109.5° |
| C20 | C19 | C22 | 111.8° | 109.5° |
| C20 | C19 | O24 | 111.5° | 109.5° |
| C19 | C20 | C21 | 112.6° | 109.5° |
| C19 | C20 | H201 | 108.7° | 109.5° |
| C19 | C20 | H202 | 108.7° | 109.5° |
| C22 | C19 | O24 | 104.5° | 109.5° |
| C19 | C22 | C23 | 112.6° | 109.5° |
| C19 | C22 | H222 | 108.7° | 109.5° |
| C19 | C22 | H221 | 108.7° | 109.5° |
| C19 | O24 | H241 | 109.5° | 114.0° |
| C21 | C20 | H201 | 108.7° | 109.4° |
| C21 | C20 | H202 | 108.7° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.4° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.4° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.4° |
| C25 | C26 | C31 | 112.1° | 109.4° |
| C25 | C26 | O34 | 105.7° | 109.5° |
| C25 | C26 | H261 | 109.2° | 109.4° |
| C26 | C25 | H252 | 109.3° | 109.5° |
| C26 | C25 | H251 | 109.3° | 109.4° |
| C31 | C26 | O34 | 108.8° | 109.5° |
| C26 | C31 | C30 | 109.8° | 109.5° |
| C31 | C26 | H261 | 109.3° | 109.5° |
| C26 | C31 | H312 | 109.4° | 109.5° |
| C26 | C31 | H311 | 109.4° | 109.5° |
| O34 | C26 | H261 | 111.7° | 109.5° |
| C26 | O34 | H341 | 109.5° | 114.0° |
| C30 | C29 | O32 | 116.3° | 120.0° |
| C30 | C29 | O33 | 120.8° | 120.0° |
| C29 | C30 | C31 | 113.4° | 109.5° |
| C29 | C30 | H301 | 108.5° | 109.5° |
| C29 | C30 | H302 | 108.5° | 109.5° |
| O32 | C29 | O33 | 122.9° | 120.0° |
| C29 | O33 | H1 | 109.5° | 117.0° |
| C31 | C30 | H301 | 108.4° | 109.5° |
| C31 | C30 | H302 | 108.5° | 109.5° |
| C30 | C31 | H312 | 109.4° | 109.5° |
| C30 | C31 | H311 | 109.4° | 109.4° |
| C36 | C35 | H351 | 110.9° | 109.4° |
| C36 | C35 | H352 | 111.0° | 109.5° |
| C35 | C36 | H362 | 109.5° | 109.4° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | C36 | H363 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H361 | C36 | H363 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C01 | C02 | C03 | O07 | 178.9° | 180.0° |
| C01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C01 | C02 | C03 | C27 | 178.8° | 180.0° |
| C02 | C01 | C06 | C05 | 0.7° | 0.1° |
| C01 | C02 | O07 | C25 | 34.3° | 0.0° |
| C02 | C01 | C06 | H061 | 179.3° | 179.9° |
| C06 | C01 | C02 | C03 | 1.3° | 0.1° |
| C06 | C01 | C02 | O07 | 179.9° | 180.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI08 | 176.2° | 180.0° |
| C02 | C03 | C04 | C27 | 179.3° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.0° |
| C03 | C02 | O07 | C25 | 144.5° | 180.0° |
| C03 | C02 | C01 | H011 | 178.7° | 179.7° |
| C02 | C03 | C04 | H041 | 179.3° | 180.0° |
| C02 | C03 | C27 | H271 | 89.7° | 90.0° |
| C02 | C03 | C27 | H272 | 150.3° | 149.9° |
| C02 | C03 | C27 | H273 | 30.3° | 30.0° |
| O07 | C02 | C03 | C04 | 179.4° | 180.0° |
| O07 | C02 | C03 | C27 | 0.1° | 0.0° |
| C02 | O07 | C25 | C26 | 156.2° | 180.0° |
| O07 | C02 | C01 | H011 | 0.1° | 0.2° |
| C02 | O07 | C25 | H252 | 83.7° | 60.0° |
| C02 | O07 | C25 | H251 | 36.1° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 1.2° | 0.0° |
| C03 | C04 | C05 | SI08 | 177.1° | 180.0° |
| C04 | C03 | C27 | H271 | 89.7° | 90.0° |
| C04 | C03 | C27 | H272 | 30.3° | 30.0° |
| C04 | C03 | C27 | H273 | 150.3° | 150.0° |
| C27 | C03 | C04 | C05 | 180.0° | 179.9° |
| C27 | C03 | C04 | H041 | 0.0° | 0.0° |
| C03 | C27 | H271 | H272 | 120.0° | 120.1° |
| C03 | C27 | H271 | H273 | 120.0° | 120.0° |
| C03 | C27 | H272 | H273 | 120.0° | 120.0° |
| C04 | C05 | C06 | SI08 | 175.7° | 180.0° |
| C04 | C05 | SI08 | C09 | 29.4° | 93.5° |
| C04 | C05 | SI08 | C10 | 86.8° | 26.5° |
| C04 | C05 | SI08 | C11 | 153.4° | 146.5° |
| C04 | C05 | C06 | H061 | 179.5° | 180.0° |
| C06 | C05 | SI08 | C09 | 154.7° | 86.5° |
| C06 | C05 | SI08 | C10 | 89.1° | 153.5° |
| C06 | C05 | SI08 | C11 | 30.7° | 33.5° |
| C05 | C06 | C01 | H011 | 179.2° | 179.7° |
| C06 | C05 | C04 | H041 | 178.8° | 180.0° |
| C05 | SI08 | C09 | C10 | 113.2° | 120.0° |
| C05 | SI08 | C09 | C11 | 123.6° | 120.0° |
| C05 | SI08 | C10 | C11 | 117.7° | 120.0° |
| C05 | SI08 | C09 | C12 | 78.7° | 85.3° |
| C05 | SI08 | C09 | C16 | 103.0° | 95.3° |
| C05 | SI08 | C11 | C35 | 50.2° | 65.3° |
| C05 | SI08 | C10 | H101 | 180.0° | 60.0° |
| C05 | SI08 | C10 | H103 | 60.0° | 180.0° |
| C05 | SI08 | C10 | H102 | 60.0° | 60.0° |
| SI08 | C05 | C04 | H041 | 2.9° | 0.1° |
| SI08 | C05 | C06 | H061 | 3.7° | 0.1° |
| C05 | SI08 | C11 | H111 | 169.5° | 174.7° |
| C05 | SI08 | C11 | H112 | 69.2° | 54.7° |
| O07 | C25 | C26 | H252 | 120.1° | 120.0° |
| O07 | C25 | C26 | H251 | 120.1° | 119.9° |
| O07 | C25 | C26 | C31 | 26.3° | 175.0° |
| O07 | C25 | C26 | O34 | 92.1° | 65.0° |
| O07 | C25 | C26 | H261 | 147.6° | 55.0° |
| O07 | C25 | H252 | H251 | 119.6° | 120.0° |
| C09 | SI08 | C10 | C11 | 121.8° | 120.0° |
| SI08 | C09 | C12 | C16 | 178.4° | 179.4° |
| C09 | SI08 | C11 | C35 | 75.8° | 174.7° |
| SI08 | C09 | C12 | C13 | 179.7° | 180.0° |
| SI08 | C09 | C16 | C15 | 179.5° | 179.8° |
| C09 | SI08 | C10 | H101 | 59.6° | 180.0° |
| C09 | SI08 | C10 | H103 | 60.5° | 60.0° |
| C09 | SI08 | C10 | H102 | 179.5° | 60.0° |
| C09 | SI08 | C11 | H111 | 43.5° | 54.7° |
| C09 | SI08 | C11 | H112 | 164.8° | 65.3° |
| SI08 | C09 | C12 | H121 | 0.4° | 0.1° |
| SI08 | C09 | C16 | H161 | 0.5° | 0.3° |
| C10 | SI08 | C09 | C12 | 34.4° | 34.7° |
| C10 | SI08 | C09 | C16 | 143.8° | 144.7° |
| C10 | SI08 | C11 | C35 | 163.7° | 54.7° |
| SI08 | C10 | H101 | H103 | 120.0° | 120.0° |
| SI08 | C10 | H101 | H102 | 120.0° | 120.0° |
| SI08 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | SI08 | C11 | H111 | 76.9° | 65.3° |
| C10 | SI08 | C11 | H112 | 44.4° | 174.7° |
| C11 | SI08 | C09 | C12 | 157.7° | 154.7° |
| C11 | SI08 | C09 | C16 | 20.6° | 24.7° |
| SI08 | C11 | C35 | H111 | 119.4° | 120.0° |
| SI08 | C11 | C35 | H112 | 119.3° | 120.0° |
| SI08 | C11 | C35 | C36 | 137.2° | 175.7° |
| C11 | SI08 | C10 | H101 | 62.3° | 60.0° |
| C11 | SI08 | C10 | H103 | 177.7° | 60.0° |
| C11 | SI08 | C10 | H102 | 57.7° | 180.0° |
| SI08 | C11 | H111 | H112 | 121.9° | 120.0° |
| SI08 | C11 | C35 | H351 | 103.8° | 55.8° |
| SI08 | C11 | C35 | H352 | 18.1° | 64.3° |
| C09 | C12 | C13 | H121 | 180.0° | 180.0° |
| C09 | C12 | C13 | C14 | 1.7° | 0.0° |
| C09 | C12 | C13 | C28 | 178.9° | 179.7° |
| C12 | C09 | C16 | C15 | 1.2° | 0.9° |
| C12 | C09 | C16 | H161 | 178.8° | 179.1° |
| C16 | C09 | C12 | C13 | 1.3° | 0.6° |
| C09 | C16 | C15 | C14 | 1.5° | 0.6° |
| C09 | C16 | C15 | H161 | 180.0° | 180.0° |
| C09 | C16 | C15 | H151 | 178.5° | 180.0° |
| C16 | C09 | C12 | H121 | 178.7° | 179.5° |
| C11 | C35 | C36 | H351 | 119.1° | 120.0° |
| C11 | C35 | C36 | H352 | 119.0° | 120.0° |
| C35 | C11 | H111 | H112 | 121.9° | 120.0° |
| C11 | C35 | H351 | H352 | 122.7° | 120.1° |
| C11 | C35 | C36 | H362 | 180.0° | 60.0° |
| C11 | C35 | C36 | H361 | 60.0° | 60.0° |
| C11 | C35 | C36 | H363 | 60.0° | 180.0° |
| C12 | C13 | C14 | C28 | 179.5° | 179.7° |
| C12 | C13 | C14 | C15 | 1.8° | 0.3° |
| C12 | C13 | C14 | O17 | 179.8° | 179.7° |
| C12 | C13 | C28 | H282 | 89.8° | 89.7° |
| C12 | C13 | C28 | H281 | 150.3° | 30.2° |
| C12 | C13 | C28 | H283 | 30.3° | 150.2° |
| C13 | C14 | C15 | O17 | 178.2° | 180.0° |
| C13 | C14 | C15 | C16 | 1.7° | 0.0° |
| C13 | C14 | O17 | C18 | 176.9° | 180.0° |
| C13 | C14 | C15 | H151 | 178.3° | 179.4° |
| C14 | C13 | C28 | H282 | 89.7° | 90.0° |
| C14 | C13 | C28 | H281 | 30.3° | 150.1° |
| C14 | C13 | C28 | H283 | 150.3° | 30.1° |
| C14 | C13 | C12 | H121 | 178.4° | 180.0° |
| C28 | C13 | C14 | C15 | 178.7° | 180.0° |
| C28 | C13 | C14 | O17 | 0.4° | 0.0° |
| C13 | C28 | H282 | H281 | 120.0° | 119.9° |
| C13 | C28 | H282 | H283 | 120.0° | 120.1° |
| C13 | C28 | H281 | H283 | 120.0° | 120.0° |
| C28 | C13 | C12 | H121 | 1.1° | 0.3° |
| C14 | C15 | C16 | H151 | 180.0° | 179.5° |
| C15 | C14 | O17 | C18 | 1.3° | 0.0° |
| C14 | C15 | C16 | H161 | 178.5° | 179.4° |
| O17 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | O17 | C18 | C19 | 177.4° | 180.0° |
| O17 | C14 | C15 | H151 | 0.1° | 0.5° |
| C14 | O17 | C18 | H181 | 57.6° | 60.0° |
| C14 | O17 | C18 | H182 | 62.7° | 60.0° |
| O17 | C18 | C19 | H181 | 119.9° | 120.0° |
| O17 | C18 | C19 | H182 | 119.9° | 120.0° |
| O17 | C18 | C19 | C20 | 173.7° | 56.0° |
| O17 | C18 | C19 | C22 | 64.5° | 176.0° |
| O17 | C18 | C19 | O24 | 52.0° | 64.0° |
| O17 | C18 | H181 | H182 | 120.4° | 120.1° |
| C18 | C19 | C20 | C22 | 121.5° | 120.0° |
| C18 | C19 | C20 | O24 | 122.0° | 120.0° |
| C18 | C19 | C22 | O24 | 121.0° | 120.0° |
| C18 | C19 | C20 | C21 | 179.2° | 63.6° |
| C18 | C19 | C22 | C23 | 54.7° | 175.0° |
| C18 | C19 | C20 | H201 | 58.7° | 56.4° |
| C18 | C19 | C20 | H202 | 60.3° | 176.4° |
| C18 | C19 | C22 | H222 | 65.7° | 55.0° |
| C18 | C19 | C22 | H221 | 175.2° | 65.0° |
| C19 | C18 | H181 | H182 | 120.4° | 120.0° |
| C18 | C19 | O24 | H241 | 180.0° | 60.1° |
| C20 | C19 | C22 | O24 | 120.7° | 120.1° |
| C19 | C20 | C21 | H201 | 120.5° | 120.1° |
| C19 | C20 | C21 | H202 | 120.5° | 120.0° |
| C20 | C19 | C22 | C23 | 63.6° | 55.0° |
| C19 | C20 | H201 | H202 | 118.6° | 120.0° |
| C19 | C20 | C21 | H211 | 180.0° | 60.9° |
| C19 | C20 | C21 | H213 | 60.0° | 179.1° |
| C19 | C20 | C21 | H212 | 60.0° | 59.0° |
| C20 | C19 | C22 | H222 | 176.0° | 65.0° |
| C20 | C19 | C22 | H221 | 56.9° | 175.1° |
| C20 | C19 | C18 | H181 | 53.9° | 176.0° |
| C20 | C19 | C18 | H182 | 66.4° | 64.0° |
| C20 | C19 | O24 | H241 | 61.5° | 180.0° |
| C22 | C19 | C20 | C21 | 59.3° | 56.4° |
| C19 | C22 | C23 | H222 | 120.5° | 120.0° |
| C19 | C22 | C23 | H221 | 120.5° | 120.0° |
| C22 | C19 | C20 | H201 | 179.8° | 176.4° |
| C22 | C19 | C20 | H202 | 61.2° | 63.6° |
| C19 | C22 | H222 | H221 | 118.6° | 120.0° |
| C22 | C19 | C18 | H181 | 175.6° | 64.1° |
| C22 | C19 | C18 | H182 | 55.4° | 56.0° |
| C19 | C22 | C23 | H233 | 180.0° | 180.0° |
| C19 | C22 | C23 | H231 | 60.0° | 60.0° |
| C19 | C22 | C23 | H232 | 60.0° | 60.0° |
| C22 | C19 | O24 | H241 | 59.4° | 59.9° |
| O24 | C19 | C20 | C21 | 57.2° | 176.4° |
| O24 | C19 | C22 | C23 | 175.7° | 65.0° |
| O24 | C19 | C20 | H201 | 63.3° | 63.6° |
| O24 | C19 | C20 | H202 | 177.7° | 56.4° |
| O24 | C19 | C22 | H222 | 55.3° | 175.0° |
| O24 | C19 | C22 | H221 | 63.8° | 55.0° |
| O24 | C19 | C18 | H181 | 67.9° | 55.9° |
| O24 | C19 | C18 | H182 | 171.9° | 176.0° |
| C21 | C20 | H201 | H202 | 118.6° | 119.9° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C23 | C22 | H222 | H221 | 118.6° | 120.0° |
| C22 | C23 | H233 | H231 | 120.0° | 120.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C25 | C26 | C31 | O34 | 116.5° | 120.0° |
| C25 | C26 | C31 | H261 | 121.2° | 120.0° |
| C25 | C26 | O34 | H261 | 118.7° | 120.0° |
| C25 | C26 | C31 | C30 | 175.0° | 175.0° |
| C26 | C25 | H252 | H251 | 119.7° | 120.0° |
| C25 | C26 | C31 | H312 | 64.9° | 65.0° |
| C25 | C26 | C31 | H311 | 55.0° | 55.0° |
| C25 | C26 | O34 | H341 | 180.0° | 60.0° |
| C31 | C26 | O34 | H261 | 120.7° | 120.1° |
| C26 | C31 | C30 | C29 | 93.1° | 180.0° |
| C26 | C31 | C30 | H312 | 120.0° | 120.0° |
| C26 | C31 | C30 | H311 | 120.1° | 120.0° |
| C31 | C26 | C25 | H252 | 93.8° | 55.0° |
| C31 | C26 | C25 | H251 | 146.4° | 65.0° |
| C26 | C31 | C30 | H301 | 27.4° | 60.0° |
| C26 | C31 | C30 | H302 | 146.3° | 60.0° |
| C26 | C31 | H312 | H311 | 119.9° | 120.1° |
| C31 | C26 | O34 | H341 | 59.4° | 60.0° |
| O34 | C26 | C31 | C30 | 68.5° | 65.0° |
| O34 | C26 | C25 | H252 | 147.8° | 175.0° |
| O34 | C26 | C25 | H251 | 28.0° | 54.9° |
| O34 | C26 | C31 | H312 | 51.6° | 55.0° |
| O34 | C26 | C31 | H311 | 171.5° | 175.0° |
| C30 | C29 | O32 | O33 | 179.8° | 180.0° |
| C29 | C30 | C31 | H301 | 120.6° | 120.0° |
| C29 | C30 | C31 | H302 | 120.6° | 120.0° |
| C29 | C30 | H301 | H302 | 118.2° | 120.0° |
| C29 | C30 | C31 | H312 | 26.9° | 60.0° |
| C29 | C30 | C31 | H311 | 146.8° | 59.9° |
| C30 | C29 | O33 | H1 | 179.8° | 179.9° |
| O32 | C29 | C30 | C31 | 163.4° | 0.0° |
| O32 | C29 | C30 | H301 | 76.0° | 120.0° |
| O32 | C29 | C30 | H302 | 42.9° | 120.0° |
| O32 | C29 | O33 | H1 | 0.0° | 0.0° |
| O33 | C29 | C30 | C31 | 16.7° | 180.0° |
| O33 | C29 | C30 | H301 | 103.8° | 60.0° |
| O33 | C29 | C30 | H302 | 137.3° | 60.0° |
| C30 | C31 | C26 | H261 | 53.8° | 55.0° |
| C31 | C30 | H301 | H302 | 118.2° | 120.0° |
| C30 | C31 | H312 | H311 | 119.8° | 119.9° |
| C36 | C35 | C11 | H111 | 17.8° | 55.7° |
| C36 | C35 | C11 | H112 | 103.5° | 64.3° |
| C36 | C35 | H351 | H352 | 122.8° | 120.0° |
| C35 | C36 | H362 | H361 | 120.0° | 120.0° |
| C35 | C36 | H362 | H363 | 120.0° | 119.9° |
| C35 | C36 | H361 | H363 | 120.0° | 120.0° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H151 | C15 | C16 | H161 | 1.5° | 0.0° |
| H201 | C20 | C21 | H211 | 59.5° | 179.0° |
| H201 | C20 | C21 | H213 | 179.5° | 59.0° |
| H201 | C20 | C21 | H212 | 60.5° | 61.1° |
| H202 | C20 | C21 | H211 | 59.5° | 59.1° |
| H202 | C20 | C21 | H213 | 60.5° | 60.9° |
| H202 | C20 | C21 | H212 | 179.5° | 179.0° |
| H211 | C21 | H213 | H212 | 120.0° | 120.0° |
| H222 | C22 | C23 | H233 | 59.5° | 60.0° |
| H222 | C22 | C23 | H231 | 179.6° | 180.0° |
| H222 | C22 | C23 | H232 | 60.5° | 60.0° |
| H221 | C22 | C23 | H233 | 59.6° | 60.0° |
| H221 | C22 | C23 | H231 | 60.5° | 60.0° |
| H221 | C22 | C23 | H232 | 179.5° | 180.0° |
| H261 | C26 | C25 | H252 | 27.5° | 65.0° |
| H261 | C26 | C25 | H251 | 92.3° | 175.0° |
| H261 | C26 | C31 | H312 | 173.8° | 175.0° |
| H261 | C26 | C31 | H311 | 66.3° | 64.9° |
| H261 | C26 | O34 | H341 | 61.3° | 180.0° |
| H282 | C28 | H281 | H283 | 120.0° | 120.1° |
| H011 | C01 | C06 | H061 | 0.8° | 0.3° |
| H111 | C11 | C35 | H351 | 136.9° | 64.2° |
| H111 | C11 | C35 | H352 | 101.2° | 175.7° |
| H112 | C11 | C35 | H351 | 15.5° | 175.8° |
| H112 | C11 | C35 | H352 | 137.4° | 55.7° |
| H233 | C23 | H231 | H232 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H301 | C30 | C31 | H312 | 147.5° | 60.0° |
| H301 | C30 | C31 | H311 | 92.7° | 180.0° |
| H302 | C30 | C31 | H312 | 93.7° | 180.0° |
| H302 | C30 | C31 | H311 | 26.2° | 60.0° |
| H351 | C35 | C36 | H362 | 60.9° | 180.0° |
| H351 | C35 | C36 | H361 | 179.0° | 60.0° |
| H351 | C35 | C36 | H363 | 59.1° | 60.1° |
| H352 | C35 | C36 | H362 | 61.0° | 60.0° |
| H352 | C35 | C36 | H361 | 59.1° | 180.0° |
| H352 | C35 | C36 | H363 | 179.0° | 60.0° |
| H362 | C36 | H361 | H363 | 120.0° | 120.0° |
