A1L75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C35 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O17 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C31 | sing | 1.51Å | 1.55Å | |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | SI07 | sing | 1.87Å | 1.91Å | |
| SI07 | C08 | sing | 1.87Å | 1.90Å | |
| SI07 | C14 | sing | 1.86Å | 1.89Å | |
| SI07 | C15 | sing | 1.86Å | 1.87Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C32 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.43Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C36 | sing | 1.51Å | 1.54Å | |
| O16 | C23 | sing | 1.43Å | 1.41Å | |
| O17 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O34 | sing | 1.43Å | 1.37Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | O30 | doub | 1.21Å | 1.25Å | |
| C22 | O33 | sing | 1.34Å | 1.25Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | O29 | sing | 1.43Å | 1.38Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | 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 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| O29 | H291 | 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 | 120.0° | 119.9° |
| C02 | C01 | C35 | 121.5° | 120.0° |
| C01 | C02 | C03 | 120.1° | 119.9° |
| C01 | C02 | O17 | 120.4° | 120.1° |
| C06 | C01 | C35 | 118.5° | 120.1° |
| C01 | C06 | C05 | 120.0° | 120.1° |
| C01 | C06 | H061 | 120.0° | 120.0° |
| C01 | C35 | H351 | 109.5° | 109.5° |
| C01 | C35 | H353 | 109.4° | 109.5° |
| C01 | C35 | H352 | 109.5° | 109.5° |
| C03 | C02 | O17 | 119.5° | 120.0° |
| C02 | C03 | C04 | 119.7° | 119.9° |
| C02 | C03 | C31 | 120.3° | 120.0° |
| C02 | O17 | C18 | 109.8° | 117.0° |
| C04 | C03 | C31 | 119.9° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C03 | C31 | H311 | 109.5° | 109.4° |
| C03 | C31 | H312 | 109.5° | 109.5° |
| C03 | C31 | H313 | 109.5° | 109.5° |
| C04 | C05 | C06 | 120.2° | 120.1° |
| C04 | C05 | SI07 | 121.2° | 119.9° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C06 | C05 | SI07 | 118.6° | 120.0° |
| C05 | C06 | H061 | 120.0° | 119.9° |
| C05 | SI07 | C08 | 115.9° | 109.5° |
| C05 | SI07 | C14 | 108.5° | 109.5° |
| C05 | SI07 | C15 | 108.6° | 109.5° |
| C08 | SI07 | C14 | 105.9° | 109.5° |
| C08 | SI07 | C15 | 108.1° | 109.5° |
| SI07 | C08 | C09 | 120.2° | 119.9° |
| SI07 | C08 | C13 | 118.5° | 119.9° |
| C14 | SI07 | C15 | 109.7° | 109.5° |
| SI07 | C14 | H141 | 109.5° | 109.5° |
| SI07 | C14 | H143 | 109.5° | 109.5° |
| SI07 | C14 | H142 | 109.4° | 109.5° |
| SI07 | C15 | H151 | 109.5° | 109.5° |
| SI07 | C15 | H152 | 109.4° | 109.5° |
| SI07 | C15 | H153 | 109.5° | 109.5° |
| C09 | C08 | C13 | 121.3° | 120.1° |
| C08 | C09 | C10 | 118.9° | 120.1° |
| C08 | C09 | H091 | 120.5° | 120.0° |
| C08 | C13 | C12 | 119.3° | 120.1° |
| C08 | C13 | H131 | 120.3° | 120.0° |
| C09 | C10 | C11 | 119.8° | 119.9° |
| C09 | C10 | C32 | 120.9° | 120.0° |
| C10 | C09 | H091 | 120.5° | 119.9° |
| C11 | C10 | C32 | 119.3° | 120.0° |
| C10 | C11 | C12 | 121.0° | 119.9° |
| C10 | C11 | O16 | 119.6° | 120.1° |
| C10 | C32 | H322 | 109.5° | 109.5° |
| C10 | C32 | H323 | 109.5° | 109.5° |
| C10 | C32 | H321 | 109.4° | 109.5° |
| C12 | C11 | O16 | 119.5° | 120.0° |
| C11 | C12 | C13 | 119.6° | 119.9° |
| C11 | C12 | C36 | 119.5° | 120.0° |
| C11 | O16 | C23 | 113.2° | 117.0° |
| C13 | C12 | C36 | 120.9° | 120.0° |
| C12 | C13 | H131 | 120.4° | 120.0° |
| C12 | C36 | H362 | 109.5° | 109.4° |
| C12 | C36 | H363 | 109.4° | 109.5° |
| C12 | C36 | H361 | 109.5° | 109.5° |
| O16 | C23 | C24 | 105.2° | 109.5° |
| O16 | C23 | H231 | 110.5° | 109.4° |
| O16 | C23 | H232 | 110.5° | 109.5° |
| O17 | C18 | C19 | 109.8° | 109.5° |
| O17 | C18 | H182 | 109.4° | 109.5° |
| O17 | C18 | H181 | 109.4° | 109.4° |
| C18 | C19 | C20 | 107.8° | 109.5° |
| C18 | C19 | O34 | 107.5° | 109.5° |
| C19 | C18 | H182 | 109.4° | 109.5° |
| C19 | C18 | H181 | 109.4° | 109.5° |
| C18 | C19 | H191 | 109.1° | 109.5° |
| C20 | C19 | O34 | 112.2° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| C19 | C20 | H201 | 108.8° | 109.5° |
| C19 | C20 | H202 | 108.8° | 109.5° |
| C20 | C19 | H191 | 108.9° | 109.4° |
| O34 | C19 | H191 | 111.2° | 109.5° |
| C19 | O34 | H341 | 109.5° | 114.0° |
| C20 | C21 | C22 | 110.2° | 109.5° |
| C21 | C20 | H201 | 108.8° | 109.4° |
| C21 | C20 | H202 | 108.9° | 109.5° |
| C20 | C21 | H211 | 109.3° | 109.5° |
| C20 | C21 | H212 | 109.3° | 109.4° |
| C21 | C22 | O30 | 119.3° | 120.0° |
| C21 | C22 | O33 | 120.4° | 120.0° |
| C22 | C21 | H211 | 109.3° | 109.4° |
| C22 | C21 | H212 | 109.3° | 109.5° |
| O30 | C22 | O33 | 120.3° | 120.0° |
| C22 | O33 | H1 | 109.5° | 117.0° |
| C23 | C24 | C25 | 109.1° | 109.5° |
| C23 | C24 | C26 | 108.2° | 109.5° |
| C23 | C24 | O29 | 108.5° | 109.5° |
| C24 | C23 | H231 | 110.5° | 109.5° |
| C24 | C23 | H232 | 110.6° | 109.5° |
| C25 | C24 | C26 | 111.1° | 109.5° |
| C25 | C24 | O29 | 110.8° | 109.5° |
| C24 | C25 | C27 | 111.6° | 109.5° |
| C24 | C25 | H252 | 108.9° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.5° |
| C26 | C24 | O29 | 109.1° | 109.5° |
| C24 | C26 | C28 | 109.4° | 109.5° |
| C24 | C26 | H261 | 109.5° | 109.5° |
| C24 | C26 | H262 | 109.5° | 109.4° |
| C24 | O29 | H291 | 109.5° | 114.0° |
| C27 | C25 | H252 | 108.9° | 109.5° |
| C27 | C25 | H251 | 108.9° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C28 | C26 | H261 | 109.5° | 109.5° |
| C28 | C26 | H262 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H273 | C27 | H271 | 109.5° | 109.4° |
| H273 | C27 | H272 | 109.4° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.4° |
| H323 | C32 | H321 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H353 | C35 | H352 | 109.5° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.4° |
| H363 | C36 | H361 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C35 | 179.8° | 179.7° |
| C01 | C02 | C03 | O17 | 179.6° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | C31 | 179.6° | 179.9° |
| C02 | C01 | C06 | C05 | 0.3° | 0.1° |
| C01 | C02 | O17 | C18 | 57.1° | 90.0° |
| C02 | C01 | C06 | H061 | 179.7° | 180.0° |
| C02 | C01 | C35 | H351 | 89.9° | 90.0° |
| C02 | C01 | C35 | H353 | 150.1° | 149.9° |
| C02 | C01 | C35 | H352 | 30.1° | 30.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C06 | C01 | C02 | O17 | 179.8° | 180.0° |
| C01 | C06 | C05 | C04 | 0.8° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | SI07 | 179.1° | 180.0° |
| C06 | C01 | C35 | H351 | 89.9° | 90.3° |
| C06 | C01 | C35 | H353 | 30.1° | 29.7° |
| C06 | C01 | C35 | H352 | 150.1° | 149.7° |
| C35 | C01 | C02 | C03 | 179.9° | 179.7° |
| C35 | C01 | C02 | O17 | 0.3° | 0.3° |
| C35 | C01 | C06 | C05 | 179.5° | 179.7° |
| C35 | C01 | C06 | H061 | 0.5° | 0.3° |
| C01 | C35 | H351 | H353 | 120.0° | 120.0° |
| C01 | C35 | H351 | H352 | 120.0° | 120.0° |
| C01 | C35 | H353 | H352 | 120.0° | 120.0° |
| C02 | C03 | C04 | C31 | 179.3° | 179.9° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | O17 | C18 | 122.4° | 90.0° |
| C02 | C03 | C04 | H041 | 179.8° | 180.0° |
| C02 | C03 | C31 | H311 | 90.3° | 90.0° |
| C02 | C03 | C31 | H312 | 149.6° | 150.0° |
| C02 | C03 | C31 | H313 | 29.7° | 30.0° |
| O17 | C02 | C03 | C04 | 179.9° | 179.9° |
| O17 | C02 | C03 | C31 | 0.8° | 0.0° |
| C02 | O17 | C18 | C19 | 128.7° | 180.0° |
| C02 | O17 | C18 | H182 | 111.3° | 60.0° |
| C02 | O17 | C18 | H181 | 8.6° | 59.9° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.8° | 0.0° |
| C03 | C04 | C05 | SI07 | 179.1° | 180.0° |
| C04 | C03 | C31 | H311 | 90.3° | 90.1° |
| C04 | C03 | C31 | H312 | 29.7° | 29.9° |
| C04 | C03 | C31 | H313 | 149.7° | 149.9° |
| C31 | C03 | C04 | C05 | 179.1° | 179.9° |
| C31 | C03 | C04 | H041 | 0.9° | 0.1° |
| C03 | C31 | H311 | H312 | 120.0° | 120.0° |
| C03 | C31 | H311 | H313 | 120.0° | 120.0° |
| C03 | C31 | H312 | H313 | 120.0° | 120.0° |
| C04 | C05 | C06 | SI07 | 178.3° | 180.0° |
| C04 | C05 | SI07 | C08 | 40.6° | 90.0° |
| C04 | C05 | SI07 | C14 | 78.3° | 30.0° |
| C04 | C05 | SI07 | C15 | 162.5° | 150.0° |
| C04 | C05 | C06 | H061 | 179.2° | 180.0° |
| C06 | C05 | SI07 | C08 | 141.1° | 90.0° |
| C06 | C05 | SI07 | C14 | 100.0° | 150.0° |
| C06 | C05 | SI07 | C15 | 19.3° | 30.0° |
| C06 | C05 | C04 | H041 | 179.2° | 180.0° |
| C05 | SI07 | C08 | C14 | 120.3° | 120.0° |
| C05 | SI07 | C08 | C15 | 122.1° | 120.0° |
| C05 | SI07 | C14 | C15 | 118.5° | 120.0° |
| C05 | SI07 | C08 | C09 | 80.4° | 90.0° |
| C05 | SI07 | C08 | C13 | 102.0° | 90.5° |
| C05 | SI07 | C15 | H151 | 180.0° | 60.0° |
| C05 | SI07 | C15 | H152 | 60.0° | 180.0° |
| C05 | SI07 | C15 | H153 | 60.0° | 60.0° |
| SI07 | C05 | C04 | H041 | 0.9° | 0.0° |
| SI07 | C05 | C06 | H061 | 0.9° | 0.1° |
| C05 | SI07 | C14 | H141 | 180.0° | 60.0° |
| C05 | SI07 | C14 | H143 | 60.0° | 180.0° |
| C05 | SI07 | C14 | H142 | 60.0° | 60.0° |
| C08 | SI07 | C14 | C15 | 116.5° | 120.0° |
| SI07 | C08 | C09 | C13 | 177.5° | 179.5° |
| SI07 | C08 | C09 | C10 | 178.9° | 180.0° |
| SI07 | C08 | C13 | C12 | 179.1° | 179.7° |
| SI07 | C08 | C13 | H131 | 0.9° | 0.5° |
| C08 | SI07 | C15 | H151 | 53.5° | 180.0° |
| C08 | SI07 | C15 | H152 | 173.5° | 60.0° |
| C08 | SI07 | C15 | H153 | 66.5° | 60.0° |
| SI07 | C08 | C09 | H091 | 1.1° | 0.1° |
| C08 | SI07 | C14 | H141 | 55.0° | 60.0° |
| C08 | SI07 | C14 | H143 | 65.0° | 60.0° |
| C08 | SI07 | C14 | H142 | 175.0° | 180.0° |
| C14 | SI07 | C08 | C09 | 159.3° | 150.0° |
| C14 | SI07 | C08 | C13 | 18.3° | 29.5° |
| C14 | SI07 | C15 | H151 | 61.5° | 60.0° |
| C14 | SI07 | C15 | H152 | 58.4° | 60.0° |
| C14 | SI07 | C15 | H153 | 178.4° | 180.0° |
| SI07 | C14 | H141 | H143 | 120.0° | 120.0° |
| SI07 | C14 | H141 | H142 | 120.0° | 120.0° |
| SI07 | C14 | H143 | H142 | 120.0° | 120.0° |
| C15 | SI07 | C08 | C09 | 41.7° | 30.0° |
| C15 | SI07 | C08 | C13 | 135.9° | 149.5° |
| SI07 | C15 | H151 | H152 | 120.0° | 120.0° |
| SI07 | C15 | H151 | H153 | 120.0° | 120.0° |
| SI07 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | SI07 | C14 | H141 | 61.5° | 180.0° |
| C15 | SI07 | C14 | H143 | 178.5° | 60.0° |
| C15 | SI07 | C14 | H142 | 58.5° | 60.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.6° | 0.0° |
| C08 | C09 | C10 | C32 | 179.5° | 179.8° |
| C09 | C08 | C13 | C12 | 1.6° | 0.8° |
| C09 | C08 | C13 | H131 | 178.4° | 180.0° |
| C13 | C08 | C09 | C10 | 1.4° | 0.5° |
| C08 | C13 | C12 | C11 | 0.9° | 0.6° |
| C08 | C13 | C12 | H131 | 180.0° | 179.2° |
| C08 | C13 | C12 | C36 | 179.3° | 179.5° |
| C13 | C08 | C09 | H091 | 178.6° | 179.4° |
| C09 | C10 | C11 | C32 | 179.9° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | O16 | 179.9° | 179.7° |
| C09 | C10 | C32 | H322 | 90.0° | 94.9° |
| C09 | C10 | C32 | H323 | 150.0° | 25.1° |
| C09 | C10 | C32 | H321 | 30.0° | 145.2° |
| C10 | C11 | C12 | O16 | 179.8° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C36 | 179.9° | 180.0° |
| C10 | C11 | O16 | C23 | 91.0° | 95.7° |
| C11 | C10 | C09 | H091 | 179.4° | 180.0° |
| C11 | C10 | C32 | H322 | 90.0° | 84.8° |
| C11 | C10 | C32 | H323 | 29.9° | 155.1° |
| C11 | C10 | C32 | H321 | 150.0° | 35.1° |
| C32 | C10 | C11 | C12 | 179.9° | 180.0° |
| C32 | C10 | C11 | O16 | 0.1° | 0.1° |
| C32 | C10 | C09 | H091 | 0.5° | 0.3° |
| C10 | C32 | H322 | H323 | 120.0° | 120.0° |
| C10 | C32 | H322 | H321 | 120.0° | 119.9° |
| C10 | C32 | H323 | H321 | 120.0° | 120.0° |
| C11 | C12 | C13 | C36 | 179.8° | 180.0° |
| C12 | C11 | O16 | C23 | 89.2° | 84.4° |
| C11 | C12 | C13 | H131 | 179.1° | 179.7° |
| C11 | C12 | C36 | H362 | 90.1° | 90.0° |
| C11 | C12 | C36 | H363 | 149.9° | 150.0° |
| C11 | C12 | C36 | H361 | 29.9° | 30.0° |
| O16 | C11 | C12 | C13 | 179.7° | 180.0° |
| O16 | C11 | C12 | C36 | 0.1° | 0.1° |
| C11 | O16 | C23 | C24 | 177.5° | 176.1° |
| C11 | O16 | C23 | H231 | 58.2° | 56.1° |
| C11 | O16 | C23 | H232 | 63.2° | 63.8° |
| C13 | C12 | C36 | H362 | 90.1° | 90.0° |
| C13 | C12 | C36 | H363 | 29.9° | 30.0° |
| C13 | C12 | C36 | H361 | 149.9° | 150.1° |
| C36 | C12 | C13 | H131 | 0.7° | 0.3° |
| C12 | C36 | H362 | H363 | 120.0° | 120.0° |
| C12 | C36 | H362 | H361 | 120.0° | 120.0° |
| C12 | C36 | H363 | H361 | 120.0° | 120.0° |
| O16 | C23 | C24 | H231 | 119.3° | 120.0° |
| O16 | C23 | C24 | H232 | 119.3° | 120.0° |
| O16 | C23 | C24 | C25 | 176.9° | 58.9° |
| O16 | C23 | C24 | C26 | 62.2° | 178.9° |
| O16 | C23 | C24 | O29 | 56.0° | 61.0° |
| O16 | C23 | H231 | H232 | 122.0° | 119.9° |
| O17 | C18 | C19 | H182 | 120.0° | 120.0° |
| O17 | C18 | C19 | H181 | 120.0° | 120.0° |
| O17 | C18 | C19 | C20 | 62.1° | 175.0° |
| O17 | C18 | C19 | O34 | 59.0° | 65.0° |
| O17 | C18 | H182 | H181 | 119.8° | 120.0° |
| O17 | C18 | C19 | H191 | 179.8° | 55.0° |
| C18 | C19 | C20 | O34 | 118.2° | 120.0° |
| C18 | C19 | C20 | H191 | 118.3° | 120.0° |
| C18 | C19 | O34 | H191 | 119.4° | 120.0° |
| C18 | C19 | C20 | C21 | 118.0° | 175.0° |
| C18 | C19 | C20 | H201 | 2.4° | 55.0° |
| C18 | C19 | C20 | H202 | 121.6° | 65.0° |
| C19 | C18 | H182 | H181 | 119.9° | 120.1° |
| C18 | C19 | O34 | H341 | 158.3° | 60.1° |
| C20 | C19 | O34 | H191 | 122.2° | 120.0° |
| C19 | C20 | C21 | H201 | 120.4° | 120.0° |
| C19 | C20 | C21 | H202 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 62.1° | 180.0° |
| C19 | C20 | H201 | H202 | 118.9° | 120.0° |
| C19 | C20 | C21 | H211 | 57.9° | 60.0° |
| C19 | C20 | C21 | H212 | 177.7° | 60.0° |
| C20 | C19 | C18 | H182 | 57.9° | 55.0° |
| C20 | C19 | C18 | H181 | 177.9° | 65.0° |
| C20 | C19 | O34 | H341 | 40.0° | 59.9° |
| O34 | C19 | C20 | C21 | 0.2° | 65.0° |
| O34 | C19 | C20 | H201 | 120.6° | 175.0° |
| O34 | C19 | C20 | H202 | 120.2° | 55.0° |
| O34 | C19 | C18 | H182 | 179.1° | 175.0° |
| O34 | C19 | C18 | H181 | 61.0° | 55.0° |
| C20 | C21 | C22 | H211 | 120.1° | 120.0° |
| C20 | C21 | C22 | H212 | 120.1° | 119.9° |
| C20 | C21 | C22 | O30 | 84.0° | 0.0° |
| C20 | C21 | C22 | O33 | 97.3° | 180.0° |
| C21 | C20 | H201 | H202 | 118.9° | 120.0° |
| C20 | C21 | H211 | H212 | 119.7° | 120.0° |
| C21 | C20 | C19 | H191 | 123.8° | 55.0° |
| C21 | C22 | O30 | O33 | 178.8° | 179.9° |
| C22 | C21 | C20 | H201 | 177.5° | 60.0° |
| C22 | C21 | C20 | H202 | 58.2° | 60.0° |
| C22 | C21 | H211 | H212 | 119.6° | 120.0° |
| C21 | C22 | O33 | H1 | 178.8° | 180.0° |
| O30 | C22 | C21 | H211 | 36.2° | 120.0° |
| O30 | C22 | C21 | H212 | 155.9° | 119.9° |
| O30 | C22 | O33 | H1 | 0.0° | 0.1° |
| O33 | C22 | C21 | H211 | 142.6° | 60.0° |
| O33 | C22 | C21 | H212 | 22.9° | 60.0° |
| C23 | C24 | C25 | C26 | 119.2° | 120.0° |
| C23 | C24 | C25 | O29 | 119.4° | 120.0° |
| C23 | C24 | C26 | O29 | 117.8° | 120.0° |
| C23 | C24 | C25 | C27 | 58.0° | 64.1° |
| C23 | C24 | C26 | C28 | 176.8° | 175.0° |
| C23 | C24 | C26 | H261 | 56.8° | 55.0° |
| C23 | C24 | C26 | H262 | 63.2° | 65.0° |
| C24 | C23 | H231 | H232 | 122.0° | 120.0° |
| C23 | C24 | C25 | H252 | 62.3° | 175.9° |
| C23 | C24 | C25 | H251 | 178.3° | 56.0° |
| C23 | C24 | O29 | H291 | 180.0° | 60.0° |
| C25 | C24 | C26 | O29 | 122.5° | 120.0° |
| C24 | C25 | C27 | H252 | 120.3° | 120.0° |
| C24 | C25 | C27 | H251 | 120.3° | 120.0° |
| C25 | C24 | C26 | C28 | 63.5° | 55.0° |
| C25 | C24 | C26 | H261 | 176.5° | 65.0° |
| C25 | C24 | C26 | H262 | 56.5° | 175.0° |
| C25 | C24 | C23 | H231 | 63.8° | 179.0° |
| C25 | C24 | C23 | H232 | 57.6° | 61.1° |
| C24 | C25 | H252 | H251 | 119.0° | 120.0° |
| C24 | C25 | C27 | H273 | 180.0° | 65.4° |
| C24 | C25 | C27 | H271 | 60.0° | 174.6° |
| C24 | C25 | C27 | H272 | 60.0° | 54.6° |
| C25 | C24 | O29 | H291 | 60.3° | 180.0° |
| C26 | C24 | C25 | C27 | 61.2° | 56.0° |
| C24 | C26 | C28 | H261 | 120.0° | 120.0° |
| C24 | C26 | C28 | H262 | 120.0° | 120.0° |
| C24 | C26 | H261 | H262 | 120.0° | 120.0° |
| C24 | C26 | C28 | H281 | 180.0° | 60.0° |
| C24 | C26 | C28 | H283 | 60.0° | 60.0° |
| C24 | C26 | C28 | H282 | 60.0° | 180.0° |
| C26 | C24 | C23 | H231 | 57.1° | 61.0° |
| C26 | C24 | C23 | H232 | 178.5° | 58.9° |
| C26 | C24 | C25 | H252 | 178.5° | 64.1° |
| C26 | C24 | C25 | H251 | 59.2° | 176.0° |
| C26 | C24 | O29 | H291 | 62.3° | 60.0° |
| O29 | C24 | C25 | C27 | 177.4° | 176.0° |
| O29 | C24 | C26 | C28 | 59.0° | 65.0° |
| O29 | C24 | C26 | H261 | 61.0° | 175.0° |
| O29 | C24 | C26 | H262 | 179.0° | 55.0° |
| O29 | C24 | C23 | H231 | 175.4° | 59.0° |
| O29 | C24 | C23 | H232 | 63.3° | 178.9° |
| O29 | C24 | C25 | H252 | 57.1° | 55.9° |
| O29 | C24 | C25 | H251 | 62.3° | 64.0° |
| C27 | C25 | H252 | H251 | 119.0° | 120.0° |
| C25 | C27 | H273 | H271 | 120.0° | 120.0° |
| C25 | C27 | H273 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.1° |
| C28 | C26 | H261 | H262 | 120.0° | 120.0° |
| C26 | C28 | H281 | H283 | 120.0° | 120.0° |
| C26 | C28 | H281 | H282 | 120.0° | 120.0° |
| C26 | C28 | H283 | H282 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H201 | C20 | C21 | H211 | 62.4° | 60.0° |
| H201 | C20 | C21 | H212 | 57.4° | 180.0° |
| H201 | C20 | C19 | H191 | 115.9° | 65.0° |
| H202 | C20 | C21 | H211 | 178.3° | 180.0° |
| H202 | C20 | C21 | H212 | 61.9° | 60.0° |
| H202 | C20 | C19 | H191 | 3.4° | 175.0° |
| H261 | C26 | C28 | H281 | 60.0° | 180.0° |
| H261 | C26 | C28 | H283 | 180.0° | 60.0° |
| H261 | C26 | C28 | H282 | 60.0° | 60.0° |
| H262 | C26 | C28 | H281 | 60.0° | 60.0° |
| H262 | C26 | C28 | H283 | 60.0° | 180.0° |
| H262 | C26 | C28 | H282 | 180.0° | 60.0° |
| H281 | C28 | H283 | H282 | 120.0° | 120.0° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H182 | C18 | C19 | H191 | 60.2° | 65.0° |
| H181 | C18 | C19 | H191 | 59.7° | 175.0° |
| H191 | C19 | O34 | H341 | 82.3° | 179.9° |
| H252 | C25 | C27 | H273 | 59.7° | 54.6° |
| H252 | C25 | C27 | H271 | 179.7° | 65.3° |
| H252 | C25 | C27 | H272 | 60.3° | 174.6° |
| H251 | C25 | C27 | H273 | 59.7° | 174.6° |
| H251 | C25 | C27 | H271 | 60.3° | 54.6° |
| H251 | C25 | C27 | H272 | 179.7° | 65.4° |
| H273 | C27 | H271 | H272 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H322 | C32 | H323 | H321 | 120.0° | 120.0° |
| H351 | C35 | H353 | H352 | 120.0° | 119.9° |
| H362 | C36 | H363 | H361 | 120.0° | 120.0° |
