A1L78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.33Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.35Å | |
| C03 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | C33 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.38Å | 1.33Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.33Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.85Å | |
| O07 | C25 | sing | 1.43Å | 1.29Å | |
| SI08 | C09 | sing | 1.87Å | 1.90Å | |
| SI08 | C10 | sing | 1.86Å | 1.88Å | |
| SI08 | C11 | sing | 1.86Å | 1.87Å | |
| C09 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C35 | sing | 1.53Å | 1.50Å | |
| C11 | C36 | sing | 1.53Å | 1.48Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C34 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.35Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| 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 | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.47Å | |
| C26 | O27 | sing | 1.43Å | 1.33Å | |
| C26 | C28 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C30 | O31 | doub | 1.21Å | 1.26Å | |
| C30 | O32 | sing | 1.34Å | 1.21Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | 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 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | 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 | |
| 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 | 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 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | 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 | 118.3° | 120.0° |
| C01 | C02 | C03 | 120.3° | 119.9° |
| C01 | C02 | O07 | 114.4° | 120.1° |
| C02 | C01 | H011 | 120.8° | 120.0° |
| C01 | C06 | C05 | 121.3° | 120.1° |
| C06 | C01 | H011 | 120.9° | 120.0° |
| C01 | C06 | H061 | 119.4° | 120.0° |
| C03 | C02 | O07 | 125.3° | 120.1° |
| C02 | C03 | C04 | 120.9° | 119.9° |
| C02 | C03 | C33 | 121.5° | 120.0° |
| C02 | O07 | C25 | 115.7° | 117.0° |
| C04 | C03 | C33 | 117.6° | 120.0° |
| C03 | C04 | C05 | 117.4° | 120.1° |
| C03 | C04 | H041 | 121.3° | 120.0° |
| C03 | C33 | H331 | 109.5° | 109.5° |
| C03 | C33 | H332 | 109.5° | 109.4° |
| C03 | C33 | H333 | 109.5° | 109.4° |
| C04 | C05 | C06 | 121.8° | 120.1° |
| C04 | C05 | SI08 | 119.4° | 120.0° |
| C05 | C04 | H041 | 121.3° | 119.9° |
| C06 | C05 | SI08 | 118.7° | 120.0° |
| C05 | C06 | H061 | 119.4° | 120.0° |
| C05 | SI08 | C09 | 110.8° | 109.5° |
| C05 | SI08 | C10 | 108.7° | 109.5° |
| C05 | SI08 | C11 | 111.1° | 109.5° |
| O07 | C25 | C26 | 104.4° | 109.5° |
| O07 | C25 | H251 | 110.7° | 109.5° |
| O07 | C25 | H252 | 110.7° | 109.5° |
| C09 | SI08 | C10 | 109.1° | 109.4° |
| C09 | SI08 | C11 | 111.3° | 109.5° |
| SI08 | C09 | C12 | 123.4° | 120.0° |
| SI08 | C09 | C16 | 120.2° | 119.9° |
| C10 | SI08 | C11 | 105.6° | 109.5° |
| SI08 | C10 | C35 | 110.4° | 109.5° |
| SI08 | C10 | H102 | 109.2° | 109.5° |
| SI08 | C10 | H101 | 109.2° | 109.5° |
| SI08 | C11 | C36 | 109.0° | 109.5° |
| SI08 | C11 | H111 | 109.6° | 109.5° |
| SI08 | C11 | H112 | 109.6° | 109.5° |
| C12 | C09 | C16 | 116.4° | 120.1° |
| C09 | C12 | C13 | 121.9° | 120.1° |
| C09 | C12 | H121 | 119.1° | 120.0° |
| C09 | C16 | C15 | 122.9° | 120.0° |
| C09 | C16 | H161 | 118.6° | 120.0° |
| C35 | C10 | H102 | 109.3° | 109.5° |
| C35 | C10 | H101 | 109.3° | 109.4° |
| C10 | C35 | H352 | 109.5° | 109.5° |
| C10 | C35 | H353 | 109.5° | 109.5° |
| C10 | C35 | H351 | 109.5° | 109.5° |
| C36 | C11 | H111 | 109.6° | 109.5° |
| C36 | C11 | H112 | 109.6° | 109.5° |
| C11 | C36 | H361 | 109.5° | 109.5° |
| C11 | C36 | H363 | 109.4° | 109.5° |
| C11 | C36 | H362 | 109.5° | 109.4° |
| C12 | C13 | C14 | 121.0° | 119.9° |
| C12 | C13 | C34 | 120.1° | 120.0° |
| C13 | C12 | H121 | 119.1° | 120.0° |
| C14 | C13 | C34 | 118.9° | 120.0° |
| C13 | C14 | C15 | 117.1° | 119.9° |
| C13 | C14 | O17 | 118.7° | 120.1° |
| C13 | C34 | H342 | 109.5° | 109.4° |
| C13 | C34 | H341 | 109.4° | 109.5° |
| C13 | C34 | H343 | 109.5° | 109.5° |
| C15 | C14 | O17 | 124.1° | 120.1° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | H151 | 119.7° | 120.0° |
| C14 | O17 | C18 | 123.0° | 117.0° |
| C16 | C15 | H151 | 119.7° | 120.0° |
| C15 | C16 | H161 | 118.6° | 120.0° |
| O17 | C18 | C19 | 109.0° | 109.5° |
| O17 | C18 | H181 | 109.6° | 109.5° |
| O17 | C18 | H182 | 109.6° | 109.4° |
| C18 | C19 | C20 | 104.1° | 109.5° |
| C18 | C19 | C22 | 110.5° | 109.4° |
| C18 | C19 | O24 | 113.4° | 109.5° |
| C19 | C18 | H181 | 109.6° | 109.5° |
| C19 | C18 | H182 | 109.6° | 109.5° |
| C20 | C19 | C22 | 110.6° | 109.4° |
| C20 | C19 | O24 | 111.0° | 109.5° |
| C19 | C20 | C21 | 112.6° | 109.4° |
| C19 | C20 | H201 | 108.7° | 109.5° |
| C19 | C20 | H202 | 108.7° | 109.5° |
| C22 | C19 | O24 | 107.2° | 109.5° |
| C19 | C22 | C23 | 114.6° | 109.4° |
| C19 | C22 | H222 | 108.2° | 109.5° |
| C19 | C22 | H221 | 108.2° | 109.5° |
| C19 | O24 | H241 | 109.5° | 114.1° |
| C21 | C20 | H201 | 108.7° | 109.4° |
| C21 | C20 | H202 | 108.7° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C23 | C22 | H222 | 108.2° | 109.5° |
| C23 | C22 | H221 | 108.2° | 109.4° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.4° | 109.4° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C25 | C26 | O27 | 96.8° | 109.5° |
| C25 | C26 | C28 | 102.3° | 109.5° |
| C25 | C26 | H261 | 113.5° | 109.5° |
| C26 | C25 | H251 | 110.7° | 109.5° |
| C26 | C25 | H252 | 110.7° | 109.5° |
| O27 | C26 | C28 | 113.4° | 109.4° |
| O27 | C26 | H261 | 116.1° | 109.4° |
| C26 | O27 | H271 | 109.5° | 113.9° |
| C26 | C28 | C29 | 114.0° | 109.5° |
| C28 | C26 | H261 | 112.9° | 109.4° |
| C26 | C28 | H282 | 108.3° | 109.5° |
| C26 | C28 | H281 | 108.3° | 109.4° |
| C28 | C29 | C30 | 105.5° | 109.5° |
| C29 | C28 | H282 | 108.3° | 109.5° |
| C29 | C28 | H281 | 108.3° | 109.5° |
| C28 | C29 | H292 | 110.5° | 109.5° |
| C28 | C29 | H291 | 110.5° | 109.5° |
| C29 | C30 | O31 | 121.4° | 120.0° |
| C29 | C30 | O32 | 114.3° | 120.0° |
| C30 | C29 | H292 | 110.4° | 109.5° |
| C30 | C29 | H291 | 110.4° | 109.5° |
| O31 | C30 | O32 | 124.4° | 120.0° |
| C30 | O32 | H1 | 109.5° | 117.0° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.4° |
| H212 | C21 | H213 | 109.4° | 109.4° |
| H222 | C22 | H221 | 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° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.4° | 109.5° |
| 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° | 109.4° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H362 | 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° | 179.6° |
| C01 | C02 | C03 | O07 | 176.4° | 180.0° |
| C01 | C02 | C03 | C04 | 2.0° | 0.0° |
| C01 | C02 | C03 | C33 | 179.8° | 180.0° |
| C02 | C01 | C06 | C05 | 1.1° | 0.0° |
| C01 | C02 | O07 | C25 | 134.4° | 0.0° |
| C02 | C01 | C06 | H061 | 178.9° | 180.0° |
| C06 | C01 | C02 | C03 | 0.6° | 0.0° |
| C06 | C01 | C02 | O07 | 177.5° | 180.0° |
| C01 | C06 | C05 | C04 | 1.6° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI08 | 178.4° | 180.0° |
| C02 | C03 | C04 | C33 | 178.3° | 180.0° |
| C02 | C03 | C04 | C05 | 1.5° | 0.0° |
| C03 | C02 | O07 | C25 | 49.0° | 180.0° |
| C03 | C02 | C01 | H011 | 179.4° | 179.7° |
| C02 | C03 | C04 | H041 | 178.6° | 180.0° |
| C02 | C03 | C33 | H331 | 89.1° | 90.0° |
| C02 | C03 | C33 | H332 | 150.9° | 150.0° |
| C02 | C03 | C33 | H333 | 31.0° | 30.0° |
| O07 | C02 | C03 | C04 | 178.4° | 180.0° |
| O07 | C02 | C03 | C33 | 3.4° | 0.0° |
| C02 | O07 | C25 | C26 | 151.5° | 180.0° |
| O07 | C02 | C01 | H011 | 2.6° | 0.4° |
| C02 | O07 | C25 | H251 | 32.3° | 60.0° |
| C02 | O07 | C25 | H252 | 89.3° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | SI08 | 179.7° | 180.0° |
| C04 | C03 | C33 | H331 | 89.2° | 90.0° |
| C04 | C03 | C33 | H332 | 30.8° | 30.0° |
| C04 | C03 | C33 | H333 | 150.8° | 149.9° |
| C33 | C03 | C04 | C05 | 179.8° | 180.0° |
| 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° | 119.9° |
| C04 | C05 | C06 | SI08 | 180.0° | 180.0° |
| C04 | C05 | SI08 | C09 | 24.9° | 99.7° |
| C04 | C05 | SI08 | C10 | 95.0° | 20.3° |
| C04 | C05 | SI08 | C11 | 149.1° | 140.3° |
| C04 | C05 | C06 | H061 | 178.4° | 180.0° |
| C06 | C05 | SI08 | C09 | 155.1° | 80.3° |
| C06 | C05 | SI08 | C10 | 85.0° | 159.7° |
| C06 | C05 | SI08 | C11 | 30.8° | 39.7° |
| C05 | C06 | C01 | H011 | 178.9° | 179.7° |
| C06 | C05 | C04 | H041 | 179.7° | 180.0° |
| C05 | SI08 | C09 | C10 | 119.6° | 120.0° |
| C05 | SI08 | C09 | C11 | 124.2° | 120.0° |
| C05 | SI08 | C10 | C11 | 119.3° | 120.0° |
| C05 | SI08 | C09 | C12 | 67.5° | 73.3° |
| C05 | SI08 | C09 | C16 | 111.4° | 107.2° |
| C05 | SI08 | C10 | C35 | 63.0° | 72.3° |
| C05 | SI08 | C11 | C36 | 52.6° | 39.0° |
| C05 | SI08 | C10 | H102 | 57.1° | 167.7° |
| C05 | SI08 | C10 | H101 | 176.8° | 47.6° |
| SI08 | C05 | C04 | H041 | 0.3° | 0.0° |
| SI08 | C05 | C06 | H061 | 1.6° | 0.0° |
| C05 | SI08 | C11 | H111 | 172.5° | 81.1° |
| C05 | SI08 | C11 | H112 | 67.3° | 159.0° |
| O07 | C25 | C26 | H251 | 119.2° | 120.0° |
| O07 | C25 | C26 | H252 | 119.2° | 120.0° |
| O07 | C25 | C26 | O27 | 146.6° | 65.0° |
| O07 | C25 | C26 | C28 | 97.6° | 175.0° |
| O07 | C25 | C26 | H261 | 24.3° | 55.0° |
| O07 | C25 | H251 | H252 | 122.3° | 120.0° |
| C09 | SI08 | C10 | C11 | 119.7° | 120.0° |
| SI08 | C09 | C12 | C16 | 178.9° | 179.5° |
| C09 | SI08 | C10 | C35 | 57.9° | 47.6° |
| C09 | SI08 | C11 | C36 | 71.4° | 81.1° |
| SI08 | C09 | C12 | C13 | 179.5° | 180.0° |
| SI08 | C09 | C16 | C15 | 179.8° | 179.7° |
| C09 | SI08 | C10 | H102 | 178.1° | 72.3° |
| C09 | SI08 | C10 | H101 | 62.2° | 167.6° |
| C09 | SI08 | C11 | H111 | 48.5° | 158.9° |
| C09 | SI08 | C11 | H112 | 168.7° | 39.0° |
| SI08 | C09 | C12 | H121 | 0.5° | 0.0° |
| SI08 | C09 | C16 | H161 | 0.1° | 0.3° |
| C10 | SI08 | C09 | C12 | 52.2° | 46.7° |
| C10 | SI08 | C09 | C16 | 128.9° | 132.8° |
| SI08 | C10 | C35 | H102 | 120.1° | 120.0° |
| SI08 | C10 | C35 | H101 | 120.1° | 120.0° |
| C10 | SI08 | C11 | C36 | 170.3° | 159.0° |
| SI08 | C10 | H102 | H101 | 119.6° | 120.0° |
| C10 | SI08 | C11 | H111 | 69.8° | 38.9° |
| C10 | SI08 | C11 | H112 | 50.4° | 81.0° |
| SI08 | C10 | C35 | H352 | 180.0° | 172.9° |
| SI08 | C10 | C35 | H353 | 60.0° | 67.1° |
| SI08 | C10 | C35 | H351 | 60.0° | 52.9° |
| C11 | SI08 | C09 | C12 | 168.3° | 166.7° |
| C11 | SI08 | C09 | C16 | 12.8° | 12.8° |
| C11 | SI08 | C10 | C35 | 177.7° | 167.6° |
| SI08 | C11 | C36 | H111 | 119.9° | 120.0° |
| SI08 | C11 | C36 | H112 | 119.9° | 120.0° |
| C11 | SI08 | C10 | H102 | 62.2° | 47.7° |
| C11 | SI08 | C10 | H101 | 57.5° | 72.4° |
| SI08 | C11 | H111 | H112 | 120.2° | 119.9° |
| SI08 | C11 | C36 | H361 | 180.0° | 173.5° |
| SI08 | C11 | C36 | H363 | 60.0° | 66.5° |
| SI08 | C11 | C36 | H362 | 60.0° | 53.5° |
| C09 | C12 | C13 | H121 | 180.0° | 180.0° |
| C09 | C12 | C13 | C14 | 1.4° | 0.0° |
| C09 | C12 | C13 | C34 | 179.1° | 179.8° |
| C12 | C09 | C16 | C15 | 1.2° | 0.9° |
| C12 | C09 | C16 | H161 | 178.9° | 179.2° |
| C16 | C09 | C12 | C13 | 0.6° | 0.5° |
| C09 | C16 | C15 | C14 | 0.2° | 0.6° |
| C09 | C16 | C15 | H161 | 180.0° | 180.0° |
| C09 | C16 | C15 | H151 | 179.8° | 179.9° |
| C16 | C09 | C12 | H121 | 179.4° | 179.4° |
| C35 | C10 | H102 | H101 | 119.6° | 120.0° |
| C10 | C35 | H352 | H353 | 120.0° | 120.0° |
| C10 | C35 | H352 | H351 | 120.0° | 120.0° |
| C10 | C35 | H353 | H351 | 120.0° | 120.1° |
| C36 | C11 | H111 | H112 | 120.2° | 120.0° |
| C11 | C36 | H361 | H363 | 120.0° | 120.0° |
| C11 | C36 | H361 | H362 | 120.0° | 120.0° |
| C11 | C36 | H363 | H362 | 120.0° | 120.0° |
| C12 | C13 | C14 | C34 | 179.6° | 179.8° |
| C12 | C13 | C14 | C15 | 2.6° | 0.2° |
| C12 | C13 | C14 | O17 | 179.4° | 179.7° |
| C12 | C13 | C34 | H342 | 89.8° | 89.8° |
| C12 | C13 | C34 | H341 | 150.2° | 30.2° |
| C12 | C13 | C34 | H343 | 30.2° | 150.3° |
| C13 | C14 | C15 | O17 | 176.5° | 180.0° |
| C13 | C14 | C15 | C16 | 2.1° | 0.1° |
| C13 | C14 | O17 | C18 | 173.2° | 180.0° |
| C13 | C14 | C15 | H151 | 177.9° | 179.4° |
| C14 | C13 | C12 | H121 | 178.6° | 180.0° |
| C14 | C13 | C34 | H342 | 89.8° | 90.0° |
| C14 | C13 | C34 | H341 | 30.2° | 150.0° |
| C14 | C13 | C34 | H343 | 150.2° | 29.9° |
| C34 | C13 | C14 | C15 | 177.8° | 180.0° |
| C34 | C13 | C14 | O17 | 1.1° | 0.0° |
| C34 | C13 | C12 | H121 | 0.9° | 0.3° |
| C13 | C34 | H342 | H341 | 120.0° | 120.0° |
| C13 | C34 | H342 | H343 | 120.0° | 120.0° |
| C13 | C34 | H341 | H343 | 120.0° | 120.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.3° |
| C15 | C14 | O17 | C18 | 3.2° | 0.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.4° |
| O17 | C14 | C15 | C16 | 178.6° | 179.9° |
| C14 | O17 | C18 | C19 | 177.2° | 180.0° |
| O17 | C14 | C15 | H151 | 1.4° | 0.6° |
| C14 | O17 | C18 | H181 | 57.3° | 59.9° |
| C14 | O17 | C18 | H182 | 62.9° | 60.0° |
| O17 | C18 | C19 | H181 | 119.9° | 120.0° |
| O17 | C18 | C19 | H182 | 119.9° | 120.0° |
| O17 | C18 | C19 | C20 | 175.3° | 175.0° |
| O17 | C18 | C19 | C22 | 65.9° | 55.0° |
| O17 | C18 | C19 | O24 | 54.5° | 65.0° |
| O17 | C18 | H181 | H182 | 120.2° | 119.9° |
| C18 | C19 | C20 | C22 | 118.7° | 120.0° |
| C18 | C19 | C20 | O24 | 122.4° | 120.0° |
| C18 | C19 | C22 | O24 | 124.1° | 120.0° |
| C18 | C19 | C20 | C21 | 177.8° | 53.3° |
| C18 | C19 | C22 | C23 | 62.4° | 175.2° |
| C18 | C19 | C20 | H201 | 57.3° | 173.2° |
| C18 | C19 | C20 | H202 | 61.7° | 66.7° |
| C18 | C19 | C22 | H222 | 58.4° | 64.8° |
| C18 | C19 | C22 | H221 | 176.9° | 55.2° |
| C19 | C18 | H181 | H182 | 120.2° | 120.0° |
| C18 | C19 | O24 | H241 | 180.0° | 60.0° |
| C20 | C19 | C22 | O24 | 121.2° | 120.0° |
| C19 | C20 | C21 | H201 | 120.5° | 120.0° |
| C19 | C20 | C21 | H202 | 120.5° | 120.0° |
| C20 | C19 | C22 | C23 | 52.4° | 64.8° |
| C19 | C20 | H201 | H202 | 118.5° | 120.1° |
| C19 | C20 | C21 | H211 | 180.0° | 64.3° |
| C19 | C20 | C21 | H212 | 60.0° | 175.7° |
| C19 | C20 | C21 | H213 | 60.0° | 55.7° |
| C20 | C19 | C22 | H222 | 173.1° | 55.1° |
| C20 | C19 | C22 | H221 | 68.4° | 175.2° |
| C20 | C19 | C18 | H181 | 55.4° | 55.0° |
| C20 | C19 | C18 | H182 | 64.7° | 65.0° |
| C20 | C19 | O24 | H241 | 63.2° | 60.0° |
| C22 | C19 | C20 | C21 | 63.5° | 173.2° |
| C19 | C22 | C23 | H222 | 120.7° | 120.0° |
| C19 | C22 | C23 | H221 | 120.8° | 120.0° |
| C22 | C19 | C20 | H201 | 176.0° | 66.9° |
| C22 | C19 | C20 | H202 | 57.0° | 53.3° |
| C19 | C22 | H222 | H221 | 117.7° | 120.1° |
| C22 | C19 | C18 | H181 | 174.2° | 65.0° |
| C22 | C19 | C18 | H182 | 54.1° | 175.0° |
| C19 | C22 | C23 | H233 | 180.0° | 68.3° |
| C19 | C22 | C23 | H231 | 60.0° | 171.7° |
| C19 | C22 | C23 | H232 | 60.0° | 51.8° |
| C22 | C19 | O24 | H241 | 57.8° | 180.0° |
| O24 | C19 | C20 | C21 | 55.4° | 66.8° |
| O24 | C19 | C22 | C23 | 173.6° | 55.2° |
| O24 | C19 | C20 | H201 | 65.1° | 53.1° |
| O24 | C19 | C20 | H202 | 175.9° | 173.3° |
| O24 | C19 | C22 | H222 | 65.7° | 175.1° |
| O24 | C19 | C22 | H221 | 52.8° | 64.8° |
| O24 | C19 | C18 | H181 | 65.4° | 175.0° |
| O24 | C19 | C18 | H182 | 174.4° | 55.0° |
| C21 | C20 | H201 | H202 | 118.6° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C23 | C22 | H222 | H221 | 117.7° | 120.0° |
| C22 | C23 | H233 | H231 | 120.0° | 120.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.1° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C25 | C26 | O27 | C28 | 106.6° | 120.0° |
| C25 | C26 | O27 | H261 | 120.3° | 120.1° |
| C25 | C26 | C28 | H261 | 122.3° | 120.1° |
| C25 | C26 | C28 | C29 | 141.0° | 175.0° |
| C25 | C26 | C28 | H282 | 20.3° | 65.0° |
| C25 | C26 | C28 | H281 | 98.3° | 55.0° |
| C26 | C25 | H251 | H252 | 122.4° | 120.0° |
| C25 | C26 | O27 | H271 | 81.7° | 59.9° |
| O27 | C26 | C28 | H261 | 134.6° | 119.9° |
| O27 | C26 | C28 | C29 | 37.9° | 65.0° |
| O27 | C26 | C28 | H282 | 82.8° | 55.1° |
| O27 | C26 | C28 | H281 | 158.6° | 175.0° |
| O27 | C26 | C25 | H251 | 27.4° | 175.0° |
| O27 | C26 | C25 | H252 | 94.2° | 55.0° |
| C26 | C28 | C29 | H282 | 120.7° | 120.0° |
| C26 | C28 | C29 | H281 | 120.7° | 120.0° |
| C26 | C28 | C29 | C30 | 88.4° | 180.0° |
| C26 | C28 | H282 | H281 | 117.9° | 120.0° |
| C28 | C26 | C25 | H251 | 143.3° | 55.0° |
| C28 | C26 | C25 | H252 | 21.6° | 65.0° |
| C26 | C28 | C29 | H292 | 152.2° | 60.0° |
| C26 | C28 | C29 | H291 | 30.9° | 60.0° |
| C28 | C26 | O27 | H271 | 24.8° | 60.1° |
| C28 | C29 | C30 | H292 | 119.4° | 120.0° |
| C28 | C29 | C30 | H291 | 119.4° | 120.0° |
| C28 | C29 | C30 | O31 | 23.5° | 0.1° |
| C28 | C29 | C30 | O32 | 156.0° | 180.0° |
| C29 | C28 | C26 | H261 | 96.7° | 54.9° |
| C29 | C28 | H282 | H281 | 117.9° | 120.0° |
| C28 | C29 | H292 | H291 | 121.9° | 120.0° |
| C29 | C30 | O31 | O32 | 179.4° | 179.9° |
| C30 | C29 | C28 | H282 | 32.2° | 60.0° |
| C30 | C29 | C28 | H281 | 150.9° | 60.0° |
| C30 | C29 | H292 | H291 | 121.8° | 120.0° |
| C29 | C30 | O32 | H1 | 179.5° | 180.0° |
| O31 | C30 | C29 | H292 | 142.8° | 120.1° |
| O31 | C30 | C29 | H291 | 95.9° | 120.0° |
| O31 | C30 | O32 | H1 | 0.0° | 0.1° |
| O32 | C30 | C29 | H292 | 36.7° | 60.0° |
| O32 | C30 | C29 | H291 | 84.6° | 60.0° |
| H102 | C10 | C35 | H352 | 59.9° | 67.1° |
| H102 | C10 | C35 | H353 | 179.9° | 52.8° |
| H102 | C10 | C35 | H351 | 60.2° | 172.9° |
| H101 | C10 | C35 | H352 | 59.8° | 53.0° |
| H101 | C10 | C35 | H353 | 60.1° | 172.9° |
| H101 | C10 | C35 | H351 | 179.9° | 67.1° |
| H151 | C15 | C16 | H161 | 0.2° | 0.1° |
| H201 | C20 | C21 | H211 | 59.5° | 175.7° |
| H201 | C20 | C21 | H212 | 179.5° | 55.7° |
| H201 | C20 | C21 | H213 | 60.5° | 64.3° |
| H202 | C20 | C21 | H211 | 59.5° | 55.8° |
| H202 | C20 | C21 | H212 | 60.5° | 64.3° |
| H202 | C20 | C21 | H213 | 179.5° | 175.7° |
| H211 | C21 | H212 | H213 | 119.9° | 120.0° |
| H222 | C22 | C23 | H233 | 59.3° | 51.7° |
| H222 | C22 | C23 | H231 | 179.3° | 68.3° |
| H222 | C22 | C23 | H232 | 60.7° | 171.8° |
| H221 | C22 | C23 | H233 | 59.2° | 171.8° |
| H221 | C22 | C23 | H231 | 60.8° | 51.8° |
| H221 | C22 | C23 | H232 | 179.2° | 68.2° |
| H261 | C26 | C28 | H282 | 142.6° | 175.0° |
| H261 | C26 | C28 | H281 | 23.9° | 65.1° |
| H261 | C26 | C25 | H251 | 94.9° | 65.0° |
| H261 | C26 | C25 | H252 | 143.5° | 175.0° |
| H261 | C26 | O27 | H271 | 158.0° | 180.0° |
| H282 | C28 | C29 | H292 | 87.1° | 180.0° |
| H282 | C28 | C29 | H291 | 151.6° | 60.0° |
| H281 | C28 | C29 | H292 | 31.6° | 60.0° |
| H281 | C28 | C29 | H291 | 89.7° | 180.0° |
| H011 | C01 | C06 | H061 | 1.1° | 0.4° |
| H111 | C11 | C36 | H361 | 60.1° | 66.4° |
| H111 | C11 | C36 | H363 | 179.9° | 53.6° |
| H111 | C11 | C36 | H362 | 60.0° | 173.5° |
| H112 | C11 | C36 | H361 | 60.0° | 53.5° |
| H112 | C11 | C36 | H363 | 60.0° | 173.5° |
| H112 | C11 | C36 | H362 | 179.9° | 66.5° |
| H233 | C23 | H231 | H232 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.1° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
| H352 | C35 | H353 | H351 | 120.0° | 120.0° |
| H361 | C36 | H363 | H362 | 120.0° | 120.0° |
