A1L76
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 | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C33 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.89Å | |
| O07 | C25 | sing | 1.43Å | 1.39Å | |
| SI08 | C09 | sing | 1.87Å | 1.88Å | |
| SI08 | C10 | sing | 1.86Å | 1.88Å | |
| SI08 | C11 | sing | 1.86Å | 1.87Å | |
| C09 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C37 | sing | 1.51Å | 1.52Å | |
| C11 | C35 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C34 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.38Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| 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 | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | O27 | sing | 1.43Å | 1.41Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | O31 | doub | 1.21Å | 1.25Å | |
| C30 | O32 | sing | 1.34Å | 1.25Å | |
| C35 | C36 | doub | 1.31Å | 1.30Å | |
| C37 | C38 | doub | 1.31Å | 1.30Å | |
| 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 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | 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 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C36 | H362 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H382 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| 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 | 121.1° | 120.0° |
| C01 | C02 | C03 | 116.7° | 119.9° |
| C01 | C02 | O07 | 118.7° | 120.0° |
| C02 | C01 | H011 | 119.5° | 120.0° |
| C01 | C06 | C05 | 122.0° | 120.0° |
| C06 | C01 | H011 | 119.4° | 120.0° |
| C01 | C06 | H061 | 119.0° | 120.0° |
| C03 | C02 | O07 | 124.6° | 120.1° |
| C02 | C03 | C04 | 121.9° | 119.9° |
| C02 | C03 | C33 | 121.2° | 120.0° |
| C02 | O07 | C25 | 115.7° | 117.0° |
| C04 | C03 | C33 | 116.9° | 120.0° |
| C03 | C04 | C05 | 120.7° | 120.1° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C03 | C33 | H331 | 109.5° | 109.4° |
| C03 | C33 | H332 | 109.4° | 109.5° |
| C03 | C33 | H333 | 109.5° | 109.5° |
| C04 | C05 | C06 | 117.6° | 120.1° |
| C04 | C05 | SI08 | 123.7° | 120.0° |
| C05 | C04 | H041 | 119.7° | 119.9° |
| C06 | C05 | SI08 | 118.8° | 119.9° |
| C05 | C06 | H061 | 119.0° | 119.9° |
| C05 | SI08 | C09 | 113.0° | 109.5° |
| C05 | SI08 | C10 | 111.5° | 109.4° |
| C05 | SI08 | C11 | 103.1° | 109.5° |
| O07 | C25 | C26 | 117.2° | 109.5° |
| O07 | C25 | H251 | 107.5° | 109.5° |
| O07 | C25 | H252 | 107.5° | 109.4° |
| C09 | SI08 | C10 | 109.1° | 109.5° |
| C09 | SI08 | C11 | 112.2° | 109.5° |
| SI08 | C09 | C12 | 119.1° | 119.9° |
| SI08 | C09 | C16 | 122.0° | 119.9° |
| C10 | SI08 | C11 | 107.8° | 109.5° |
| SI08 | C10 | C37 | 110.5° | 109.5° |
| SI08 | C10 | H102 | 109.2° | 109.5° |
| SI08 | C10 | H101 | 109.2° | 109.5° |
| SI08 | C11 | C35 | 111.2° | 109.5° |
| SI08 | C11 | H111 | 109.0° | 109.5° |
| SI08 | C11 | H112 | 109.0° | 109.5° |
| C12 | C09 | C16 | 118.9° | 120.2° |
| C09 | C12 | C13 | 120.3° | 120.0° |
| C09 | C12 | H121 | 119.8° | 120.0° |
| C09 | C16 | C15 | 120.4° | 120.0° |
| C09 | C16 | H161 | 119.8° | 120.0° |
| C10 | C37 | C38 | 121.4° | 120.0° |
| C37 | C10 | H102 | 109.2° | 109.5° |
| C37 | C10 | H101 | 109.2° | 109.5° |
| C10 | C37 | H371 | 119.3° | 120.0° |
| C11 | C35 | C36 | 117.6° | 120.0° |
| C35 | C11 | H111 | 109.0° | 109.5° |
| C35 | C11 | H112 | 109.0° | 109.5° |
| C11 | C35 | H351 | 121.2° | 120.0° |
| C12 | C13 | C14 | 121.0° | 120.0° |
| C12 | C13 | C34 | 119.7° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C14 | C13 | C34 | 119.3° | 120.0° |
| C13 | C14 | C15 | 119.3° | 119.9° |
| C13 | C14 | O17 | 118.1° | 120.1° |
| C13 | C34 | H342 | 109.5° | 109.5° |
| C13 | C34 | H341 | 109.5° | 109.5° |
| C13 | C34 | H343 | 109.5° | 109.5° |
| C15 | C14 | O17 | 122.6° | 120.0° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H151 | 119.9° | 120.0° |
| C14 | O17 | C18 | 118.5° | 117.1° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | H161 | 119.8° | 120.0° |
| O17 | C18 | C19 | 108.3° | 109.5° |
| O17 | C18 | H181 | 109.8° | 109.5° |
| O17 | C18 | H182 | 109.8° | 109.5° |
| C18 | C19 | C20 | 111.6° | 109.5° |
| C18 | C19 | C22 | 110.0° | 109.5° |
| C18 | C19 | O24 | 110.4° | 109.5° |
| C19 | C18 | H181 | 109.8° | 109.5° |
| C19 | C18 | H182 | 109.8° | 109.5° |
| C20 | C19 | C22 | 109.7° | 109.5° |
| C20 | C19 | O24 | 104.8° | 109.5° |
| C19 | C20 | C21 | 112.1° | 109.5° |
| C19 | C20 | H202 | 108.8° | 109.5° |
| C19 | C20 | H201 | 108.8° | 109.5° |
| C22 | C19 | O24 | 110.2° | 109.5° |
| C19 | C22 | C23 | 110.3° | 109.4° |
| C19 | C22 | H221 | 109.2° | 109.4° |
| C19 | C22 | H222 | 109.2° | 109.5° |
| C19 | O24 | H241 | 109.5° | 114.0° |
| C21 | C20 | H202 | 108.8° | 109.4° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.4° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C23 | C22 | H221 | 109.3° | 109.5° |
| C23 | C22 | H222 | 109.3° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.4° |
| C22 | C23 | H233 | 109.4° | 109.5° |
| C25 | C26 | O27 | 112.0° | 109.5° |
| C25 | C26 | C28 | 113.5° | 109.5° |
| C25 | C26 | H261 | 108.3° | 109.4° |
| C26 | C25 | H251 | 107.5° | 109.5° |
| C26 | C25 | H252 | 107.5° | 109.5° |
| O27 | C26 | C28 | 104.3° | 109.5° |
| O27 | C26 | H261 | 110.0° | 109.5° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C26 | C28 | C29 | 106.5° | 109.5° |
| C28 | C26 | H261 | 108.7° | 109.4° |
| C26 | C28 | H282 | 110.2° | 109.4° |
| C26 | C28 | H281 | 110.2° | 109.5° |
| C28 | C29 | C30 | 114.2° | 109.5° |
| C29 | C28 | H282 | 110.2° | 109.5° |
| C29 | C28 | H281 | 110.2° | 109.5° |
| C28 | C29 | H292 | 108.3° | 109.5° |
| C28 | C29 | H291 | 108.2° | 109.5° |
| C29 | C30 | O31 | 118.9° | 120.0° |
| C29 | C30 | O32 | 121.7° | 120.0° |
| C30 | C29 | H292 | 108.2° | 109.5° |
| C30 | C29 | H291 | 108.3° | 109.5° |
| O31 | C30 | O32 | 119.4° | 119.9° |
| C30 | O32 | H1 | 109.5° | 117.0° |
| C36 | C35 | H351 | 121.2° | 120.0° |
| C35 | C36 | H361 | 120.0° | 120.0° |
| C35 | C36 | H362 | 120.0° | 120.0° |
| C38 | C37 | H371 | 119.3° | 120.0° |
| C37 | C38 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | 120.0° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.4° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.4° |
| H361 | C36 | H362 | 120.0° | 120.0° |
| H382 | C38 | H381 | 120.0° | 120.0° |
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 | 179.4° | 180.0° |
| C01 | C02 | C03 | C04 | 0.5° | 0.0° |
| C01 | C02 | C03 | C33 | 179.8° | 179.9° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C01 | C02 | O07 | C25 | 135.1° | 0.1° |
| C02 | C01 | C06 | H061 | 179.8° | 180.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.0° |
| C06 | C01 | C02 | O07 | 179.9° | 179.9° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI08 | 179.7° | 180.0° |
| C02 | C03 | C04 | C33 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | O07 | C25 | 45.5° | 180.0° |
| C03 | C02 | C01 | H011 | 179.5° | 179.7° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C02 | C03 | C33 | H331 | 89.8° | 90.0° |
| C02 | C03 | C33 | H332 | 150.2° | 150.0° |
| C02 | C03 | C33 | H333 | 30.2° | 29.9° |
| O07 | C02 | C03 | C04 | 179.9° | 180.0° |
| O07 | C02 | C03 | C33 | 0.4° | 0.0° |
| C02 | O07 | C25 | C26 | 178.8° | 180.0° |
| O07 | C02 | C01 | H011 | 0.1° | 0.3° |
| C02 | O07 | C25 | H251 | 60.1° | 59.9° |
| C02 | O07 | C25 | H252 | 57.7° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.8° | 0.0° |
| C03 | C04 | C05 | SI08 | 179.6° | 180.0° |
| C04 | C03 | C33 | H331 | 89.8° | 90.0° |
| C04 | C03 | C33 | H332 | 30.2° | 29.9° |
| C04 | C03 | C33 | H333 | 150.2° | 150.0° |
| C33 | C03 | C04 | C05 | 179.6° | 179.9° |
| C33 | C03 | C04 | H041 | 0.4° | 0.0° |
| C03 | C33 | H331 | H332 | 120.0° | 120.0° |
| C03 | C33 | H331 | H333 | 120.0° | 120.0° |
| C03 | C33 | H332 | H333 | 120.0° | 120.1° |
| C04 | C05 | C06 | SI08 | 178.9° | 180.0° |
| C04 | C05 | SI08 | C09 | 15.6° | 83.7° |
| C04 | C05 | SI08 | C10 | 107.7° | 36.3° |
| C04 | C05 | SI08 | C11 | 136.9° | 156.3° |
| C04 | C05 | C06 | H061 | 179.2° | 180.0° |
| C06 | C05 | SI08 | C09 | 163.2° | 96.3° |
| C06 | C05 | SI08 | C10 | 73.5° | 143.7° |
| C06 | C05 | SI08 | C11 | 41.9° | 23.7° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 179.2° | 179.9° |
| C05 | SI08 | C09 | C10 | 124.7° | 120.0° |
| C05 | SI08 | C09 | C11 | 116.0° | 120.0° |
| C05 | SI08 | C10 | C11 | 112.4° | 120.0° |
| C05 | SI08 | C09 | C12 | 63.2° | 83.1° |
| C05 | SI08 | C09 | C16 | 117.5° | 96.3° |
| C05 | SI08 | C10 | C37 | 49.5° | 50.1° |
| C05 | SI08 | C11 | C35 | 165.9° | 69.7° |
| C05 | SI08 | C10 | H102 | 70.7° | 170.1° |
| C05 | SI08 | C10 | H101 | 169.6° | 69.9° |
| SI08 | C05 | C04 | H041 | 0.4° | 0.1° |
| SI08 | C05 | C06 | H061 | 0.3° | 0.0° |
| C05 | SI08 | C11 | H111 | 73.9° | 50.3° |
| C05 | SI08 | C11 | H112 | 45.6° | 170.3° |
| O07 | C25 | C26 | H251 | 121.1° | 120.1° |
| O07 | C25 | C26 | H252 | 121.1° | 119.9° |
| O07 | C25 | C26 | O27 | 155.0° | 64.9° |
| O07 | C25 | C26 | C28 | 37.2° | 175.0° |
| O07 | C25 | C26 | H261 | 83.5° | 55.1° |
| O07 | C25 | H251 | H252 | 116.5° | 119.9° |
| C09 | SI08 | C10 | C11 | 122.0° | 120.0° |
| SI08 | C09 | C12 | C16 | 179.3° | 179.5° |
| C09 | SI08 | C10 | C37 | 76.1° | 69.9° |
| C09 | SI08 | C11 | C35 | 44.0° | 50.3° |
| SI08 | C09 | C12 | C13 | 179.9° | 180.0° |
| SI08 | C09 | C16 | C15 | 179.8° | 179.7° |
| C09 | SI08 | C10 | H102 | 163.8° | 50.2° |
| C09 | SI08 | C10 | H101 | 44.1° | 170.1° |
| C09 | SI08 | C11 | H111 | 164.2° | 170.3° |
| C09 | SI08 | C11 | H112 | 76.3° | 69.7° |
| SI08 | C09 | C12 | H121 | 0.1° | 0.0° |
| SI08 | C09 | C16 | H161 | 0.2° | 0.2° |
| C10 | SI08 | C09 | C12 | 61.5° | 156.9° |
| C10 | SI08 | C09 | C16 | 117.8° | 23.6° |
| SI08 | C10 | C37 | H102 | 120.1° | 120.0° |
| SI08 | C10 | C37 | H101 | 120.1° | 120.1° |
| C10 | SI08 | C11 | C35 | 76.1° | 170.3° |
| SI08 | C10 | C37 | C38 | 101.0° | 123.5° |
| SI08 | C10 | H102 | H101 | 119.5° | 120.0° |
| C10 | SI08 | C11 | H111 | 44.2° | 69.6° |
| C10 | SI08 | C11 | H112 | 163.7° | 50.3° |
| SI08 | C10 | C37 | H371 | 79.0° | 56.5° |
| C11 | SI08 | C09 | C12 | 179.2° | 36.9° |
| C11 | SI08 | C09 | C16 | 1.5° | 143.7° |
| C11 | SI08 | C10 | C37 | 161.9° | 170.1° |
| SI08 | C11 | C35 | H111 | 120.3° | 120.0° |
| SI08 | C11 | C35 | H112 | 120.2° | 120.0° |
| SI08 | C11 | C35 | C36 | 149.4° | 117.8° |
| C11 | SI08 | C10 | H102 | 41.7° | 69.9° |
| C11 | SI08 | C10 | H101 | 77.9° | 50.1° |
| SI08 | C11 | H111 | H112 | 119.2° | 120.0° |
| SI08 | C11 | C35 | H351 | 30.6° | 62.1° |
| C09 | C12 | C13 | H121 | 180.0° | 180.0° |
| C09 | C12 | C13 | C14 | 0.5° | 0.1° |
| C09 | C12 | C13 | C34 | 179.4° | 179.8° |
| C12 | C09 | C16 | C15 | 0.5° | 0.9° |
| C12 | C09 | C16 | H161 | 179.5° | 179.3° |
| C16 | C09 | C12 | C13 | 0.7° | 0.5° |
| C09 | C16 | C15 | C14 | 0.1° | 0.6° |
| C09 | C16 | C15 | H161 | 180.0° | 179.9° |
| C09 | C16 | C15 | H151 | 179.9° | 180.0° |
| C16 | C09 | C12 | H121 | 179.3° | 179.5° |
| C10 | C37 | C38 | H371 | 180.0° | 180.0° |
| C37 | C10 | H102 | H101 | 119.6° | 120.0° |
| C10 | C37 | C38 | H382 | 180.0° | 0.0° |
| C10 | C37 | C38 | H381 | 0.0° | 180.0° |
| C11 | C35 | C36 | H351 | 180.0° | 180.0° |
| C35 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | C35 | C36 | H361 | 180.0° | 0.0° |
| C11 | C35 | C36 | H362 | 0.0° | 180.0° |
| C12 | C13 | C14 | C34 | 179.9° | 179.7° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C12 | C13 | C14 | O17 | 179.7° | 179.7° |
| C12 | C13 | C34 | H342 | 90.1° | 89.7° |
| C12 | C13 | C34 | H341 | 150.0° | 30.3° |
| C12 | C13 | C34 | H343 | 30.0° | 150.3° |
| C13 | C14 | C15 | O17 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C13 | C14 | O17 | C18 | 176.0° | 180.0° |
| C13 | C14 | C15 | H151 | 179.7° | 179.4° |
| C14 | C13 | C12 | H121 | 179.5° | 180.0° |
| C14 | C13 | C34 | H342 | 90.0° | 90.0° |
| C14 | C13 | C34 | H341 | 29.9° | 150.0° |
| C14 | C13 | C34 | H343 | 149.9° | 30.0° |
| C34 | C13 | C14 | C15 | 179.9° | 180.0° |
| C34 | C13 | C14 | O17 | 0.4° | 0.0° |
| C34 | C13 | C12 | H121 | 0.6° | 0.3° |
| C13 | C34 | H342 | H341 | 120.0° | 120.0° |
| C13 | C34 | H342 | H343 | 120.1° | 120.1° |
| C13 | C34 | H341 | H343 | 120.0° | 120.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.4° |
| C15 | C14 | O17 | C18 | 3.6° | 0.0° |
| C14 | C15 | C16 | H161 | 179.9° | 179.5° |
| O17 | C14 | C15 | C16 | 180.0° | 179.9° |
| C14 | O17 | C18 | C19 | 178.5° | 180.0° |
| O17 | C14 | C15 | H151 | 0.0° | 0.6° |
| C14 | O17 | C18 | H181 | 61.7° | 60.0° |
| C14 | O17 | C18 | H182 | 58.7° | 60.0° |
| O17 | C18 | C19 | H181 | 119.8° | 120.0° |
| O17 | C18 | C19 | H182 | 119.8° | 120.0° |
| O17 | C18 | C19 | C20 | 54.2° | 52.2° |
| O17 | C18 | C19 | C22 | 176.2° | 172.2° |
| O17 | C18 | C19 | O24 | 61.9° | 67.8° |
| O17 | C18 | H181 | H182 | 120.5° | 120.0° |
| C18 | C19 | C20 | C22 | 122.2° | 120.0° |
| C18 | C19 | C20 | O24 | 119.5° | 120.0° |
| C18 | C19 | C22 | O24 | 121.9° | 120.0° |
| C18 | C19 | C20 | C21 | 64.3° | 63.7° |
| C18 | C19 | C22 | C23 | 169.3° | 175.0° |
| C18 | C19 | C20 | H202 | 56.1° | 56.3° |
| C18 | C19 | C20 | H201 | 175.3° | 176.3° |
| C18 | C19 | C22 | H221 | 49.2° | 55.0° |
| C18 | C19 | C22 | H222 | 70.6° | 65.0° |
| C19 | C18 | H181 | H182 | 120.6° | 120.0° |
| C18 | C19 | O24 | H241 | 180.0° | 60.0° |
| C20 | C19 | C22 | O24 | 114.9° | 120.0° |
| C19 | C20 | C21 | H202 | 120.4° | 120.0° |
| C19 | C20 | C21 | H201 | 120.4° | 120.0° |
| C20 | C19 | C22 | C23 | 67.6° | 55.0° |
| C19 | C20 | H202 | H201 | 118.8° | 120.0° |
| C19 | C20 | C21 | H213 | 180.0° | 179.0° |
| C19 | C20 | C21 | H211 | 60.0° | 59.0° |
| C19 | C20 | C21 | H212 | 60.0° | 61.0° |
| C20 | C19 | C22 | H221 | 172.3° | 65.0° |
| C20 | C19 | C22 | H222 | 52.6° | 175.0° |
| C20 | C19 | C18 | H181 | 174.0° | 172.3° |
| C20 | C19 | C18 | H182 | 65.6° | 67.8° |
| C20 | C19 | O24 | H241 | 59.7° | 180.0° |
| C22 | C19 | C20 | C21 | 57.9° | 56.4° |
| C19 | C22 | C23 | H221 | 120.1° | 119.9° |
| C19 | C22 | C23 | H222 | 120.1° | 120.0° |
| C22 | C19 | C20 | H202 | 178.3° | 176.3° |
| C22 | C19 | C20 | H201 | 62.5° | 63.7° |
| C19 | C22 | H221 | H222 | 119.6° | 120.0° |
| C22 | C19 | C18 | H181 | 63.9° | 67.7° |
| C22 | C19 | C18 | H182 | 56.4° | 52.2° |
| C19 | C22 | C23 | H231 | 180.0° | 60.0° |
| C19 | C22 | C23 | H232 | 60.0° | 180.0° |
| C19 | C22 | C23 | H233 | 60.0° | 60.1° |
| C22 | C19 | O24 | H241 | 58.3° | 60.0° |
| O24 | C19 | C20 | C21 | 176.2° | 176.4° |
| O24 | C19 | C22 | C23 | 47.4° | 65.0° |
| O24 | C19 | C20 | H202 | 63.4° | 63.7° |
| O24 | C19 | C20 | H201 | 55.8° | 56.3° |
| O24 | C19 | C22 | H221 | 72.8° | 175.0° |
| O24 | C19 | C22 | H222 | 167.5° | 55.0° |
| O24 | C19 | C18 | H181 | 57.9° | 52.3° |
| O24 | C19 | C18 | H182 | 178.3° | 172.2° |
| C21 | C20 | H202 | H201 | 118.8° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 119.9° |
| C23 | C22 | H221 | H222 | 119.6° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 119.9° |
| C25 | C26 | O27 | C28 | 123.1° | 120.0° |
| C25 | C26 | O27 | H261 | 120.4° | 120.0° |
| C25 | C26 | C28 | H261 | 120.5° | 119.9° |
| C25 | C26 | C28 | C29 | 162.4° | 175.0° |
| C25 | C26 | C28 | H282 | 78.0° | 65.0° |
| C25 | C26 | C28 | H281 | 42.9° | 54.9° |
| C26 | C25 | H251 | H252 | 116.5° | 120.0° |
| C25 | C26 | O27 | H271 | 180.0° | 60.0° |
| O27 | C26 | C28 | H261 | 117.4° | 120.0° |
| O27 | C26 | C28 | C29 | 75.4° | 65.0° |
| O27 | C26 | C28 | H282 | 44.1° | 55.0° |
| O27 | C26 | C28 | H281 | 165.0° | 175.0° |
| O27 | C26 | C25 | H251 | 83.9° | 175.0° |
| O27 | C26 | C25 | H252 | 33.9° | 55.0° |
| C26 | C28 | C29 | H282 | 119.5° | 120.0° |
| C26 | C28 | C29 | H281 | 119.5° | 120.0° |
| C26 | C28 | C29 | C30 | 93.4° | 180.0° |
| C26 | C28 | H282 | H281 | 121.4° | 120.0° |
| C28 | C26 | C25 | H251 | 158.3° | 54.9° |
| C28 | C26 | C25 | H252 | 83.9° | 65.0° |
| C26 | C28 | C29 | H292 | 145.9° | 60.0° |
| C26 | C28 | C29 | H291 | 27.3° | 60.0° |
| C28 | C26 | O27 | H271 | 56.9° | 60.0° |
| C28 | C29 | C30 | H292 | 120.7° | 120.0° |
| C28 | C29 | C30 | H291 | 120.7° | 120.0° |
| C28 | C29 | C30 | O31 | 132.3° | 0.0° |
| C28 | C29 | C30 | O32 | 49.3° | 180.0° |
| C29 | C28 | C26 | H261 | 41.9° | 55.0° |
| C29 | C28 | H282 | H281 | 121.4° | 120.0° |
| C28 | C29 | H292 | H291 | 117.8° | 120.0° |
| C29 | C30 | O31 | O32 | 178.4° | 180.0° |
| C30 | C29 | C28 | H282 | 26.1° | 60.0° |
| C30 | C29 | C28 | H281 | 147.1° | 60.0° |
| C30 | C29 | H292 | H291 | 117.8° | 120.0° |
| C29 | C30 | O32 | H1 | 178.4° | 179.9° |
| O31 | C30 | C29 | H292 | 11.6° | 120.0° |
| O31 | C30 | C29 | H291 | 107.0° | 120.0° |
| O31 | C30 | O32 | H1 | 0.0° | 0.1° |
| O32 | C30 | C29 | H292 | 170.0° | 60.0° |
| O32 | C30 | C29 | H291 | 71.4° | 60.0° |
| C36 | C35 | C11 | H111 | 90.3° | 122.1° |
| C36 | C35 | C11 | H112 | 29.2° | 2.2° |
| C35 | C36 | H361 | H362 | 180.0° | 180.0° |
| C38 | C37 | C10 | H102 | 138.9° | 116.5° |
| C38 | C37 | C10 | H101 | 19.1° | 3.5° |
| C37 | C38 | H382 | H381 | 179.9° | 179.9° |
| H102 | C10 | C37 | H371 | 41.2° | 63.5° |
| H101 | C10 | C37 | H371 | 160.9° | 176.5° |
| H151 | C15 | C16 | H161 | 0.1° | 0.1° |
| H202 | C20 | C21 | H213 | 59.6° | 59.0° |
| H202 | C20 | C21 | H211 | 179.6° | 61.0° |
| H202 | C20 | C21 | H212 | 60.4° | 179.0° |
| H201 | C20 | C21 | H213 | 59.6° | 61.0° |
| H201 | C20 | C21 | H211 | 60.4° | 179.0° |
| H201 | C20 | C21 | H212 | 179.6° | 59.0° |
| H213 | C21 | H211 | H212 | 120.0° | 120.1° |
| H221 | C22 | C23 | H231 | 59.9° | 60.0° |
| H221 | C22 | C23 | H232 | 179.9° | 60.1° |
| H221 | C22 | C23 | H233 | 60.1° | 180.0° |
| H222 | C22 | C23 | H231 | 59.9° | 180.0° |
| H222 | C22 | C23 | H232 | 60.1° | 59.9° |
| H222 | C22 | C23 | H233 | 179.9° | 60.0° |
| H261 | C26 | C28 | H282 | 161.5° | 175.0° |
| H261 | C26 | C28 | H281 | 77.6° | 65.0° |
| H261 | C26 | C25 | H251 | 37.6° | 65.0° |
| H261 | C26 | C25 | H252 | 155.4° | 175.0° |
| H261 | C26 | O27 | H271 | 59.6° | 180.0° |
| H282 | C28 | C29 | H292 | 94.6° | 180.0° |
| H282 | C28 | C29 | H291 | 146.8° | 60.0° |
| H281 | C28 | C29 | H292 | 26.4° | 60.0° |
| H281 | C28 | C29 | H291 | 92.2° | 180.0° |
| H011 | C01 | C06 | H061 | 0.2° | 0.2° |
| H111 | C11 | C35 | H351 | 89.7° | 57.9° |
| H112 | C11 | C35 | H351 | 150.8° | 177.9° |
| H231 | C23 | H232 | H233 | 120.0° | 120.1° |
| H331 | C33 | H332 | H333 | 120.0° | 119.9° |
| H342 | C34 | H341 | H343 | 120.0° | 119.9° |
| H351 | C35 | C36 | H361 | 0.1° | 180.0° |
| H351 | C35 | C36 | H362 | 180.0° | 0.0° |
| H371 | C37 | C38 | H382 | 0.0° | 180.0° |
| H371 | C37 | C38 | H381 | 180.0° | 0.0° |
