A1L79
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 | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.41Å | |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C33 | sing | 1.51Å | 1.50Å | |
| C04 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.91Å | |
| O07 | C25 | sing | 1.43Å | 1.38Å | |
| SI08 | C09 | sing | 1.87Å | 1.93Å | |
| SI08 | C10 | sing | 1.86Å | 1.90Å | |
| SI08 | C11 | sing | 1.86Å | 1.89Å | |
| C09 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C37 | sing | 1.53Å | 1.51Å | |
| C11 | C35 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C34 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.37Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| 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 | 1.52Å | |
| C26 | O27 | sing | 1.43Å | 1.35Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | O31 | doub | 1.21Å | 1.22Å | |
| C30 | O32 | sing | 1.34Å | 1.25Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | 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 | |
| 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 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | 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 | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O32 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 117.9° | 120.0° |
| C01 | C02 | C03 | 119.2° | 119.9° |
| C01 | C02 | O07 | 123.9° | 120.0° |
| C02 | C01 | H011 | 121.1° | 120.0° |
| C01 | C06 | C05 | 122.6° | 120.0° |
| C06 | C01 | H011 | 121.1° | 120.0° |
| C01 | C06 | H061 | 118.7° | 120.0° |
| C03 | C02 | O07 | 116.9° | 120.1° |
| C02 | C03 | C04 | 122.3° | 120.0° |
| C02 | C03 | C33 | 119.3° | 120.0° |
| C02 | O07 | C25 | 121.4° | 117.0° |
| C04 | C03 | C33 | 118.3° | 120.0° |
| C03 | C04 | C05 | 119.0° | 120.0° |
| C03 | C04 | H041 | 120.5° | 120.0° |
| C03 | C33 | H331 | 109.5° | 109.4° |
| C03 | C33 | H332 | 109.5° | 109.5° |
| C03 | C33 | H333 | 109.5° | 109.5° |
| C04 | C05 | C06 | 119.0° | 120.1° |
| C04 | C05 | SI08 | 119.0° | 119.9° |
| C05 | C04 | H041 | 120.5° | 120.0° |
| C06 | C05 | SI08 | 122.0° | 119.9° |
| C05 | C06 | H061 | 118.7° | 120.0° |
| C05 | SI08 | C09 | 115.5° | 109.5° |
| C05 | SI08 | C10 | 107.2° | 109.5° |
| C05 | SI08 | C11 | 109.0° | 109.5° |
| O07 | C25 | C26 | 112.4° | 109.5° |
| O07 | C25 | H252 | 108.8° | 109.4° |
| O07 | C25 | H251 | 108.7° | 109.5° |
| C09 | SI08 | C10 | 107.4° | 109.5° |
| C09 | SI08 | C11 | 113.3° | 109.4° |
| SI08 | C09 | C12 | 117.8° | 119.9° |
| SI08 | C09 | C16 | 124.3° | 120.0° |
| C10 | SI08 | C11 | 103.5° | 109.5° |
| SI08 | C10 | C37 | 111.2° | 109.5° |
| SI08 | C10 | H102 | 109.0° | 109.5° |
| SI08 | C10 | H101 | 109.0° | 109.5° |
| SI08 | C11 | C35 | 109.1° | 109.5° |
| SI08 | C11 | H111 | 109.5° | 109.5° |
| SI08 | C11 | H112 | 109.6° | 109.5° |
| C12 | C09 | C16 | 117.8° | 120.1° |
| C09 | C12 | C13 | 122.0° | 120.1° |
| C09 | C12 | H121 | 119.0° | 120.0° |
| C09 | C16 | C15 | 120.2° | 120.0° |
| C09 | C16 | H161 | 119.9° | 119.9° |
| C10 | C37 | C38 | 108.8° | 109.5° |
| C37 | C10 | H102 | 109.0° | 109.5° |
| C37 | C10 | H101 | 109.0° | 109.5° |
| C10 | C37 | H372 | 109.6° | 109.4° |
| C10 | C37 | H371 | 109.7° | 109.5° |
| C11 | C35 | C36 | 103.5° | 109.5° |
| C35 | C11 | H111 | 109.6° | 109.4° |
| C35 | C11 | H112 | 109.6° | 109.5° |
| C11 | C35 | H352 | 110.9° | 109.5° |
| C11 | C35 | H351 | 110.9° | 109.4° |
| C12 | C13 | C14 | 120.3° | 119.9° |
| C12 | C13 | C34 | 118.9° | 120.1° |
| C13 | C12 | H121 | 119.0° | 119.9° |
| C14 | C13 | C34 | 120.8° | 120.0° |
| C13 | C14 | C15 | 118.1° | 119.9° |
| C13 | C14 | O17 | 118.5° | 120.0° |
| C13 | C34 | H342 | 109.5° | 109.4° |
| C13 | C34 | H341 | 109.5° | 109.4° |
| C13 | C34 | H343 | 109.5° | 109.5° |
| C15 | C14 | O17 | 123.3° | 120.1° |
| C14 | C15 | C16 | 121.5° | 120.0° |
| C14 | C15 | H151 | 119.2° | 120.0° |
| C14 | O17 | C18 | 118.8° | 117.0° |
| C16 | C15 | H151 | 119.2° | 120.0° |
| C15 | C16 | H161 | 119.9° | 120.0° |
| O17 | C18 | C19 | 110.2° | 109.5° |
| O17 | C18 | H181 | 109.3° | 109.5° |
| O17 | C18 | H182 | 109.3° | 109.4° |
| C18 | C19 | C20 | 105.0° | 109.5° |
| C18 | C19 | C22 | 109.8° | 109.5° |
| C18 | C19 | O24 | 116.0° | 109.5° |
| C19 | C18 | H181 | 109.3° | 109.4° |
| C19 | C18 | H182 | 109.3° | 109.5° |
| C20 | C19 | C22 | 111.4° | 109.4° |
| C20 | C19 | O24 | 107.3° | 109.5° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C19 | C20 | H202 | 109.3° | 109.5° |
| C19 | C20 | H201 | 109.3° | 109.4° |
| C22 | C19 | O24 | 107.4° | 109.5° |
| C19 | C22 | C23 | 109.2° | 109.5° |
| C19 | C22 | H221 | 109.5° | 109.5° |
| C19 | C22 | H222 | 109.5° | 109.5° |
| C19 | O24 | H241 | 109.5° | 114.0° |
| C21 | C20 | H202 | 109.3° | 109.5° |
| C21 | C20 | H201 | 109.3° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.6° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.4° | 109.5° |
| C25 | C26 | O27 | 104.7° | 109.5° |
| C25 | C26 | C28 | 118.5° | 109.5° |
| C25 | C26 | H261 | 107.7° | 109.5° |
| C26 | C25 | H252 | 108.8° | 109.5° |
| C26 | C25 | H251 | 108.7° | 109.5° |
| O27 | C26 | C28 | 108.4° | 109.4° |
| O27 | C26 | H261 | 110.0° | 109.5° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C26 | C28 | C29 | 109.7° | 109.5° |
| C28 | C26 | H261 | 107.4° | 109.5° |
| C26 | C28 | H282 | 109.4° | 109.5° |
| C26 | C28 | H281 | 109.4° | 109.4° |
| C28 | C29 | C30 | 117.2° | 109.5° |
| C29 | C28 | H282 | 109.4° | 109.5° |
| C29 | C28 | H281 | 109.4° | 109.5° |
| C28 | C29 | H292 | 107.5° | 109.5° |
| C28 | C29 | H291 | 107.5° | 109.5° |
| C29 | C30 | O31 | 119.0° | 120.0° |
| C29 | C30 | O32 | 121.9° | 120.0° |
| C30 | C29 | H292 | 107.5° | 109.4° |
| C30 | C29 | H291 | 107.5° | 109.5° |
| O31 | C30 | O32 | 119.1° | 119.9° |
| C30 | O32 | H1 | 109.5° | 117.0° |
| C36 | C35 | H352 | 110.9° | 109.5° |
| C36 | C35 | H351 | 111.0° | 109.4° |
| C35 | C36 | H363 | 109.5° | 109.4° |
| C35 | C36 | H362 | 109.5° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.4° |
| C38 | C37 | H372 | 109.6° | 109.5° |
| C38 | C37 | H371 | 109.6° | 109.5° |
| C37 | C38 | H383 | 109.5° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.4° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.4° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.4° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.4° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H383 | C38 | H381 | 109.5° | 109.5° |
| H383 | C38 | H382 | 109.4° | 109.4° |
| H381 | C38 | H382 | 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 | 178.4° | 180.0° |
| C01 | C02 | C03 | C04 | 1.6° | 0.0° |
| C01 | C02 | C03 | C33 | 179.9° | 180.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | O07 | C25 | 21.0° | 0.0° |
| C02 | C01 | C06 | H061 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.7° | 0.0° |
| C06 | C01 | C02 | O07 | 179.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | SI08 | 178.8° | 180.0° |
| C02 | C03 | C04 | C33 | 178.5° | 180.0° |
| C02 | C03 | C04 | C05 | 1.8° | 0.0° |
| C03 | C02 | O07 | C25 | 160.7° | 180.0° |
| C03 | C02 | C01 | H011 | 179.3° | 179.7° |
| C02 | C03 | C04 | H041 | 178.2° | 179.9° |
| C02 | C03 | C33 | H331 | 89.3° | 90.1° |
| C02 | C03 | C33 | H332 | 150.7° | 150.0° |
| C02 | C03 | C33 | H333 | 30.7° | 30.0° |
| O07 | C02 | C03 | C04 | 180.0° | 180.0° |
| O07 | C02 | C03 | C33 | 1.5° | 0.1° |
| C02 | O07 | C25 | C26 | 142.6° | 180.0° |
| O07 | C02 | C01 | H011 | 1.0° | 0.3° |
| C02 | O07 | C25 | H252 | 96.9° | 60.0° |
| C02 | O07 | C25 | H251 | 22.2° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 1.1° | 0.0° |
| C03 | C04 | C05 | SI08 | 179.7° | 179.9° |
| C04 | C03 | C33 | H331 | 89.3° | 90.0° |
| C04 | C03 | C33 | H332 | 30.7° | 30.0° |
| C04 | C03 | C33 | H333 | 150.7° | 150.0° |
| C33 | C03 | C04 | C05 | 179.7° | 179.9° |
| C33 | C03 | C04 | H041 | 0.3° | 0.0° |
| C03 | C33 | H331 | H332 | 120.0° | 120.0° |
| C03 | C33 | H331 | H333 | 120.0° | 120.0° |
| C03 | C33 | H332 | H333 | 120.0° | 120.0° |
| C04 | C05 | C06 | SI08 | 178.6° | 180.0° |
| C04 | C05 | SI08 | C09 | 29.7° | 119.5° |
| C04 | C05 | SI08 | C10 | 89.9° | 0.5° |
| C04 | C05 | SI08 | C11 | 158.7° | 120.5° |
| C04 | C05 | C06 | H061 | 179.8° | 179.9° |
| C06 | C05 | SI08 | C09 | 151.7° | 60.4° |
| C06 | C05 | SI08 | C10 | 88.7° | 179.5° |
| C06 | C05 | SI08 | C11 | 22.7° | 59.5° |
| C05 | C06 | C01 | H011 | 180.0° | 179.7° |
| C06 | C05 | C04 | H041 | 178.9° | 179.9° |
| C05 | SI08 | C09 | C10 | 119.5° | 120.0° |
| C05 | SI08 | C09 | C11 | 126.8° | 120.0° |
| C05 | SI08 | C10 | C11 | 115.2° | 120.0° |
| C05 | SI08 | C09 | C12 | 138.7° | 61.4° |
| C05 | SI08 | C09 | C16 | 41.6° | 119.1° |
| C05 | SI08 | C10 | C37 | 38.7° | 68.0° |
| C05 | SI08 | C11 | C35 | 92.7° | 52.4° |
| C05 | SI08 | C10 | H102 | 81.6° | 172.0° |
| C05 | SI08 | C10 | H101 | 158.9° | 52.0° |
| SI08 | C05 | C04 | H041 | 0.3° | 0.0° |
| SI08 | C05 | C06 | H061 | 1.2° | 0.1° |
| C05 | SI08 | C11 | H111 | 147.3° | 67.5° |
| C05 | SI08 | C11 | H112 | 27.2° | 172.5° |
| O07 | C25 | C26 | H252 | 120.5° | 119.9° |
| O07 | C25 | C26 | H251 | 120.4° | 120.0° |
| O07 | C25 | C26 | O27 | 66.9° | 65.1° |
| O07 | C25 | C26 | C28 | 54.0° | 175.0° |
| O07 | C25 | C26 | H261 | 176.1° | 55.0° |
| O07 | C25 | H252 | H251 | 118.6° | 120.0° |
| C09 | SI08 | C10 | C11 | 120.1° | 119.9° |
| SI08 | C09 | C12 | C16 | 179.7° | 179.5° |
| C09 | SI08 | C10 | C37 | 86.0° | 52.1° |
| C09 | SI08 | C11 | C35 | 37.4° | 67.6° |
| SI08 | C09 | C12 | C13 | 179.9° | 180.0° |
| SI08 | C09 | C16 | C15 | 179.7° | 179.7° |
| C09 | SI08 | C10 | H102 | 153.7° | 67.9° |
| C09 | SI08 | C10 | H101 | 34.2° | 172.1° |
| C09 | SI08 | C11 | H111 | 82.5° | 172.5° |
| C09 | SI08 | C11 | H112 | 157.4° | 52.5° |
| SI08 | C09 | C12 | H121 | 0.1° | 0.0° |
| SI08 | C09 | C16 | H161 | 0.3° | 0.3° |
| C10 | SI08 | C09 | C12 | 19.2° | 58.6° |
| C10 | SI08 | C09 | C16 | 161.1° | 120.9° |
| SI08 | C10 | C37 | H102 | 120.2° | 120.0° |
| SI08 | C10 | C37 | H101 | 120.3° | 120.0° |
| C10 | SI08 | C11 | C35 | 153.4° | 172.5° |
| SI08 | C10 | C37 | C38 | 89.5° | 178.8° |
| SI08 | C10 | H102 | H101 | 119.2° | 120.0° |
| C10 | SI08 | C11 | H111 | 33.5° | 52.5° |
| C10 | SI08 | C11 | H112 | 86.6° | 67.5° |
| SI08 | C10 | C37 | H372 | 30.4° | 61.2° |
| SI08 | C10 | C37 | H371 | 150.6° | 58.8° |
| C11 | SI08 | C09 | C12 | 94.4° | 178.6° |
| C11 | SI08 | C09 | C16 | 85.3° | 0.9° |
| C11 | SI08 | C10 | C37 | 153.8° | 172.0° |
| SI08 | C11 | C35 | H111 | 119.9° | 120.0° |
| SI08 | C11 | C35 | H112 | 120.0° | 120.1° |
| SI08 | C11 | C35 | C36 | 68.6° | 176.4° |
| C11 | SI08 | C10 | H102 | 33.6° | 52.0° |
| C11 | SI08 | C10 | H101 | 85.9° | 68.0° |
| SI08 | C11 | H111 | H112 | 120.2° | 120.0° |
| SI08 | C11 | C35 | H352 | 50.4° | 63.5° |
| SI08 | C11 | C35 | H351 | 172.3° | 56.5° |
| C09 | C12 | C13 | H121 | 180.0° | 180.0° |
| C09 | C12 | C13 | C14 | 0.5° | 0.0° |
| C09 | C12 | C13 | C34 | 179.8° | 179.8° |
| C12 | C09 | C16 | C15 | 0.0° | 0.8° |
| C12 | C09 | C16 | H161 | 180.0° | 179.2° |
| C16 | C09 | C12 | C13 | 0.4° | 0.5° |
| C09 | C16 | C15 | C14 | 1.3° | 0.5° |
| C09 | C16 | C15 | H161 | 180.0° | 180.0° |
| C09 | C16 | C15 | H151 | 178.7° | 180.0° |
| C16 | C09 | C12 | H121 | 179.6° | 179.5° |
| C10 | C37 | C38 | H372 | 119.9° | 120.0° |
| C10 | C37 | C38 | H371 | 119.9° | 120.0° |
| C37 | C10 | H102 | H101 | 119.2° | 120.0° |
| C10 | C37 | H372 | H371 | 120.3° | 120.0° |
| C10 | C37 | C38 | H383 | 180.0° | 60.0° |
| C10 | C37 | C38 | H381 | 60.0° | 60.0° |
| C10 | C37 | C38 | H382 | 60.0° | 180.0° |
| C11 | C35 | C36 | H352 | 119.0° | 120.1° |
| C11 | C35 | C36 | H351 | 119.1° | 119.9° |
| C35 | C11 | H111 | H112 | 120.2° | 120.0° |
| C11 | C35 | H352 | H351 | 122.8° | 119.9° |
| C11 | C35 | C36 | H363 | 180.0° | 180.0° |
| C11 | C35 | C36 | H362 | 60.0° | 59.9° |
| C11 | C35 | C36 | H361 | 60.0° | 60.1° |
| C12 | C13 | C14 | C34 | 179.7° | 179.8° |
| C12 | C13 | C14 | C15 | 1.7° | 0.3° |
| C12 | C13 | C14 | O17 | 179.2° | 179.7° |
| C12 | C13 | C34 | H342 | 90.1° | 89.8° |
| C12 | C13 | C34 | H341 | 149.9° | 30.2° |
| C12 | C13 | C34 | H343 | 29.9° | 150.3° |
| C13 | C14 | C15 | O17 | 177.3° | 180.0° |
| C13 | C14 | C15 | C16 | 2.1° | 0.0° |
| C13 | C14 | O17 | C18 | 155.2° | 180.0° |
| C13 | C14 | C15 | H151 | 177.9° | 179.5° |
| C14 | C13 | C12 | H121 | 179.5° | 180.0° |
| C14 | C13 | C34 | H342 | 90.2° | 90.0° |
| C14 | C13 | C34 | H341 | 29.9° | 150.0° |
| C14 | C13 | C34 | H343 | 149.8° | 30.0° |
| C34 | C13 | C14 | C15 | 178.6° | 180.0° |
| C34 | C13 | C14 | O17 | 1.1° | 0.0° |
| C34 | C13 | C12 | H121 | 0.2° | 0.3° |
| C13 | C34 | H342 | H341 | 120.0° | 119.9° |
| C13 | C34 | H342 | H343 | 120.0° | 120.0° |
| C13 | C34 | H341 | H343 | 120.0° | 120.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.5° |
| C15 | C14 | O17 | C18 | 27.5° | 0.0° |
| C14 | C15 | C16 | H161 | 178.7° | 179.4° |
| O17 | C14 | C15 | C16 | 179.5° | 180.0° |
| C14 | O17 | C18 | C19 | 173.1° | 180.0° |
| O17 | C14 | C15 | H151 | 0.5° | 0.5° |
| C14 | O17 | C18 | H181 | 66.8° | 60.0° |
| C14 | O17 | C18 | H182 | 53.1° | 60.0° |
| O17 | C18 | C19 | H181 | 120.1° | 120.0° |
| O17 | C18 | C19 | H182 | 120.1° | 120.0° |
| O17 | C18 | C19 | C20 | 152.6° | 54.2° |
| O17 | C18 | C19 | C22 | 87.6° | 174.1° |
| O17 | C18 | C19 | O24 | 34.4° | 65.9° |
| O17 | C18 | H181 | H182 | 119.7° | 120.0° |
| C18 | C19 | C20 | C22 | 118.8° | 120.0° |
| C18 | C19 | C20 | O24 | 124.0° | 120.0° |
| C18 | C19 | C22 | O24 | 127.0° | 120.0° |
| C18 | C19 | C20 | C21 | 43.7° | 65.4° |
| C18 | C19 | C22 | C23 | 167.9° | 175.0° |
| C18 | C19 | C20 | H202 | 76.4° | 54.6° |
| C18 | C19 | C20 | H201 | 163.8° | 174.6° |
| C18 | C19 | C22 | H221 | 72.2° | 55.0° |
| C18 | C19 | C22 | H222 | 47.9° | 65.0° |
| C19 | C18 | H181 | H182 | 119.7° | 120.0° |
| C18 | C19 | O24 | H241 | 180.0° | 60.0° |
| C20 | C19 | C22 | O24 | 117.2° | 120.0° |
| C19 | C20 | C21 | H202 | 120.1° | 120.0° |
| C19 | C20 | C21 | H201 | 120.1° | 120.0° |
| C20 | C19 | C22 | C23 | 52.0° | 55.0° |
| C19 | C20 | H202 | H201 | 119.7° | 120.0° |
| C19 | C20 | C21 | H213 | 180.0° | 59.4° |
| C19 | C20 | C21 | H211 | 60.0° | 60.7° |
| C19 | C20 | C21 | H212 | 60.0° | 179.4° |
| C20 | C19 | C22 | H221 | 172.0° | 65.0° |
| C20 | C19 | C22 | H222 | 68.0° | 175.1° |
| C20 | C19 | C18 | H181 | 87.3° | 174.2° |
| C20 | C19 | C18 | H182 | 32.5° | 65.8° |
| C20 | C19 | O24 | H241 | 63.1° | 180.0° |
| C22 | C19 | C20 | C21 | 75.0° | 54.5° |
| C19 | C22 | C23 | H221 | 120.0° | 120.0° |
| C19 | C22 | C23 | H222 | 120.0° | 120.0° |
| C22 | C19 | C20 | H202 | 164.9° | 174.5° |
| C22 | C19 | C20 | H201 | 45.0° | 65.4° |
| C19 | C22 | H221 | H222 | 120.1° | 119.9° |
| C22 | C19 | C18 | H181 | 32.5° | 65.9° |
| C22 | C19 | C18 | H182 | 152.3° | 54.2° |
| 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 | 56.7° | 60.1° |
| O24 | C19 | C20 | C21 | 167.7° | 174.5° |
| O24 | C19 | C22 | C23 | 65.2° | 65.0° |
| O24 | C19 | C20 | H202 | 47.6° | 65.5° |
| O24 | C19 | C20 | H201 | 72.3° | 54.5° |
| O24 | C19 | C22 | H221 | 54.8° | 175.0° |
| O24 | C19 | C22 | H222 | 174.9° | 55.1° |
| O24 | C19 | C18 | H181 | 154.5° | 54.1° |
| O24 | C19 | C18 | H182 | 85.7° | 174.2° |
| C21 | C20 | H202 | H201 | 119.7° | 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 | 120.1° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.1° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C25 | C26 | O27 | C28 | 127.3° | 120.0° |
| C25 | C26 | O27 | H261 | 115.5° | 120.0° |
| C25 | C26 | C28 | H261 | 122.2° | 120.0° |
| C25 | C26 | C28 | C29 | 131.3° | 175.0° |
| C25 | C26 | C28 | H282 | 108.6° | 64.9° |
| C25 | C26 | C28 | H281 | 11.3° | 55.0° |
| C26 | C25 | H252 | H251 | 118.7° | 120.1° |
| C25 | C26 | O27 | H271 | 180.0° | 59.9° |
| O27 | C26 | C28 | H261 | 118.8° | 120.0° |
| O27 | C26 | C28 | C29 | 109.7° | 65.0° |
| O27 | C26 | C28 | H282 | 10.3° | 55.0° |
| O27 | C26 | C28 | H281 | 130.2° | 175.0° |
| O27 | C26 | C25 | H252 | 172.7° | 175.0° |
| O27 | C26 | C25 | H251 | 53.6° | 55.0° |
| C26 | C28 | C29 | H282 | 120.0° | 120.0° |
| C26 | C28 | C29 | H281 | 120.0° | 120.0° |
| C26 | C28 | C29 | C30 | 137.4° | 180.0° |
| C26 | C28 | H282 | H281 | 119.9° | 119.9° |
| C28 | C26 | C25 | H252 | 66.5° | 55.1° |
| C28 | C26 | C25 | H251 | 174.4° | 65.0° |
| C26 | C28 | C29 | H292 | 101.5° | 60.0° |
| C26 | C28 | C29 | H291 | 16.3° | 60.0° |
| C28 | C26 | O27 | H271 | 52.7° | 60.0° |
| C28 | C29 | C30 | H292 | 121.1° | 120.0° |
| C28 | C29 | C30 | H291 | 121.1° | 120.0° |
| C28 | C29 | C30 | O31 | 30.7° | 0.0° |
| C28 | C29 | C30 | O32 | 151.5° | 180.0° |
| C29 | C28 | C26 | H261 | 9.1° | 55.0° |
| C29 | C28 | H282 | H281 | 119.9° | 120.1° |
| C28 | C29 | H292 | H291 | 116.5° | 120.0° |
| C29 | C30 | O31 | O32 | 177.8° | 180.0° |
| C30 | C29 | C28 | H282 | 17.4° | 60.0° |
| C30 | C29 | C28 | H281 | 102.6° | 60.0° |
| C30 | C29 | H292 | H291 | 116.4° | 120.0° |
| C29 | C30 | O32 | H1 | 177.7° | 180.0° |
| O31 | C30 | C29 | H292 | 151.8° | 120.0° |
| O31 | C30 | C29 | H291 | 90.4° | 120.0° |
| O31 | C30 | O32 | H1 | 0.0° | 0.0° |
| O32 | C30 | C29 | H292 | 30.4° | 60.0° |
| O32 | C30 | C29 | H291 | 87.3° | 60.0° |
| C36 | C35 | C11 | H111 | 171.5° | 63.7° |
| C36 | C35 | C11 | H112 | 51.4° | 56.3° |
| C36 | C35 | H352 | H351 | 122.8° | 120.0° |
| C35 | C36 | H363 | H362 | 120.0° | 120.0° |
| C35 | C36 | H363 | H361 | 120.0° | 119.9° |
| C35 | C36 | H362 | H361 | 120.0° | 120.0° |
| C38 | C37 | C10 | H102 | 150.2° | 61.1° |
| C38 | C37 | C10 | H101 | 30.7° | 58.8° |
| C38 | C37 | H372 | H371 | 120.3° | 120.0° |
| C37 | C38 | H383 | H381 | 120.0° | 120.0° |
| C37 | C38 | H383 | H382 | 120.0° | 120.1° |
| C37 | C38 | H381 | H382 | 120.0° | 120.0° |
| H102 | C10 | C37 | H372 | 89.9° | 58.9° |
| H102 | C10 | C37 | H371 | 30.4° | 178.8° |
| H101 | C10 | C37 | H372 | 150.6° | 178.8° |
| H101 | C10 | C37 | H371 | 89.2° | 61.2° |
| H151 | C15 | C16 | H161 | 1.3° | 0.0° |
| H202 | C20 | C21 | H213 | 59.9° | 60.7° |
| H202 | C20 | C21 | H211 | 179.9° | 179.3° |
| H202 | C20 | C21 | H212 | 60.1° | 59.3° |
| H201 | C20 | C21 | H213 | 59.9° | 179.3° |
| H201 | C20 | C21 | H211 | 60.0° | 59.3° |
| H201 | C20 | C21 | H212 | 179.9° | 60.7° |
| H213 | C21 | H211 | H212 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 60.0° | 180.0° |
| H221 | C22 | C23 | H233 | 180.0° | 60.0° |
| H221 | C22 | C23 | H232 | 60.0° | 60.0° |
| H222 | C22 | C23 | H231 | 60.0° | 60.1° |
| H222 | C22 | C23 | H233 | 60.0° | 180.0° |
| H222 | C22 | C23 | H232 | 180.0° | 60.0° |
| H261 | C26 | C28 | H282 | 129.1° | 175.0° |
| H261 | C26 | C28 | H281 | 111.0° | 65.0° |
| H261 | C26 | C25 | H252 | 55.6° | 65.0° |
| H261 | C26 | C25 | H251 | 63.5° | 175.0° |
| H261 | C26 | O27 | H271 | 64.5° | 180.0° |
| H282 | C28 | C29 | H292 | 138.5° | 180.0° |
| H282 | C28 | C29 | H291 | 103.8° | 60.0° |
| H281 | C28 | C29 | H292 | 18.6° | 60.0° |
| H281 | C28 | C29 | H291 | 136.3° | 180.0° |
| H011 | C01 | C06 | H061 | 0.0° | 0.2° |
| H111 | C11 | C35 | H352 | 69.5° | 56.4° |
| H111 | C11 | C35 | H351 | 52.4° | 176.4° |
| H112 | C11 | C35 | H352 | 170.4° | 176.4° |
| H112 | C11 | C35 | H351 | 67.7° | 63.6° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
| H352 | C35 | C36 | H363 | 61.0° | 60.0° |
| H352 | C35 | C36 | H362 | 179.0° | 180.0° |
| H352 | C35 | C36 | H361 | 59.0° | 60.0° |
| H351 | C35 | C36 | H363 | 61.0° | 60.1° |
| H351 | C35 | C36 | H362 | 59.0° | 60.0° |
| H351 | C35 | C36 | H361 | 179.1° | NaN° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H372 | C37 | C38 | H383 | 60.1° | 180.0° |
| H372 | C37 | C38 | H381 | 179.9° | 60.0° |
| H372 | C37 | C38 | H382 | 59.9° | 60.0° |
| H371 | C37 | C38 | H383 | 60.1° | 60.0° |
| H371 | C37 | C38 | H381 | 59.9° | 180.0° |
| H371 | C37 | C38 | H382 | 179.9° | 60.0° |
| H383 | C38 | H381 | H382 | 120.0° | 119.9° |
