A1L74
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 | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C02 | O17 | sing | 1.36Å | 1.45Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C31 | sing | 1.51Å | 1.48Å | |
| C04 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | C35 | sing | 1.51Å | 1.52Å | |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | SI07 | sing | 1.87Å | 1.98Å | |
| SI07 | C08 | sing | 1.87Å | 1.93Å | |
| SI07 | C14 | sing | 1.86Å | 1.90Å | |
| SI07 | C15 | sing | 1.86Å | 1.87Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C36 | sing | 1.51Å | 1.55Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C32 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.39Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| O16 | C23 | sing | 1.43Å | 1.37Å | |
| O17 | C18 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O34 | sing | 1.43Å | 1.37Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | O30 | doub | 1.21Å | 1.24Å | |
| C22 | O33 | sing | 1.34Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.59Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | O29 | sing | 1.43Å | 1.39Å | |
| C25 | C27 | sing | 1.53Å | 1.50Å | |
| 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 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | 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 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | 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 | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | 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 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | 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 | 120.9° | 119.9° |
| C01 | C02 | C03 | 118.6° | 119.9° |
| C01 | C02 | O17 | 122.3° | 120.0° |
| C02 | C01 | H011 | 119.6° | 120.1° |
| C01 | C06 | C05 | 121.8° | 120.0° |
| C06 | C01 | H011 | 119.5° | 120.0° |
| C01 | C06 | H061 | 119.1° | 120.0° |
| C03 | C02 | O17 | 119.0° | 120.1° |
| C02 | C03 | C04 | 120.9° | 120.0° |
| C02 | C03 | C31 | 112.5° | 120.0° |
| C02 | O17 | C18 | 123.4° | 117.0° |
| C04 | C03 | C31 | 126.6° | 120.0° |
| C03 | C04 | C05 | 121.4° | 120.1° |
| C03 | C04 | C35 | 123.2° | 120.0° |
| C03 | C31 | H311 | 109.5° | 109.5° |
| C03 | C31 | H313 | 109.4° | 109.4° |
| C03 | C31 | H312 | 109.4° | 109.5° |
| C05 | C04 | C35 | 115.4° | 120.0° |
| C04 | C05 | C06 | 116.5° | 120.1° |
| C04 | C05 | SI07 | 123.0° | 119.9° |
| C04 | C35 | H351 | 109.5° | 109.4° |
| C04 | C35 | H353 | 109.4° | 109.5° |
| C04 | C35 | H352 | 109.5° | 109.5° |
| C06 | C05 | SI07 | 120.5° | 119.9° |
| C05 | C06 | H061 | 119.1° | 119.9° |
| C05 | SI07 | C08 | 108.2° | 109.5° |
| C05 | SI07 | C14 | 114.4° | 109.4° |
| C05 | SI07 | C15 | 110.5° | 109.5° |
| C08 | SI07 | C14 | 108.1° | 109.5° |
| C08 | SI07 | C15 | 105.3° | 109.5° |
| SI07 | C08 | C09 | 121.4° | 119.9° |
| SI07 | C08 | C13 | 119.7° | 120.0° |
| C14 | SI07 | C15 | 109.9° | 109.5° |
| SI07 | C14 | H141 | 109.5° | 109.5° |
| SI07 | C14 | H143 | 109.5° | 109.4° |
| SI07 | C14 | H142 | 109.5° | 109.5° |
| SI07 | C15 | H151 | 109.5° | 109.4° |
| SI07 | C15 | H152 | 109.5° | 109.5° |
| SI07 | C15 | H153 | 109.5° | 109.4° |
| C09 | C08 | C13 | 118.9° | 120.1° |
| C08 | C09 | C10 | 120.1° | 120.1° |
| C08 | C09 | C36 | 120.0° | 120.0° |
| C08 | C13 | C12 | 121.5° | 120.1° |
| C08 | C13 | H131 | 119.3° | 120.0° |
| C10 | C09 | C36 | 119.9° | 120.0° |
| C09 | C10 | C11 | 120.2° | 119.9° |
| C09 | C10 | C32 | 121.0° | 120.0° |
| C09 | C36 | H362 | 109.5° | 109.5° |
| C09 | C36 | H361 | 109.4° | 109.5° |
| C09 | C36 | H363 | 109.5° | 109.5° |
| C11 | C10 | C32 | 118.8° | 120.0° |
| C10 | C11 | C12 | 120.1° | 119.9° |
| C10 | C11 | O16 | 117.3° | 120.1° |
| C10 | C32 | H322 | 109.5° | 109.5° |
| C10 | C32 | H321 | 109.5° | 109.5° |
| C10 | C32 | H323 | 109.5° | 109.5° |
| C12 | C11 | O16 | 122.6° | 120.0° |
| C11 | C12 | C13 | 119.2° | 119.9° |
| C11 | C12 | H121 | 120.4° | 120.0° |
| C11 | O16 | C23 | 120.3° | 117.0° |
| C12 | C13 | H131 | 119.3° | 120.0° |
| C13 | C12 | H121 | 120.4° | 120.0° |
| O16 | C23 | C24 | 110.8° | 109.5° |
| O16 | C23 | H231 | 109.2° | 109.5° |
| O16 | C23 | H232 | 109.1° | 109.5° |
| O17 | C18 | C19 | 107.0° | 109.5° |
| O17 | C18 | H182 | 110.1° | 109.4° |
| O17 | C18 | H181 | 110.1° | 109.5° |
| C18 | C19 | C20 | 108.9° | 109.5° |
| C18 | C19 | O34 | 111.0° | 109.5° |
| C19 | C18 | H182 | 110.1° | 109.5° |
| C19 | C18 | H181 | 110.1° | 109.5° |
| C18 | C19 | H191 | 108.4° | 109.5° |
| C20 | C19 | O34 | 110.2° | 109.5° |
| C19 | C20 | C21 | 109.7° | 109.5° |
| C19 | C20 | H202 | 109.4° | 109.5° |
| C19 | C20 | H201 | 109.4° | 109.4° |
| C20 | C19 | H191 | 108.0° | 109.5° |
| O34 | C19 | H191 | 110.3° | 109.4° |
| C19 | O34 | H341 | 109.5° | 114.0° |
| C20 | C21 | C22 | 109.8° | 109.5° |
| C21 | C20 | H202 | 109.4° | 109.5° |
| C21 | C20 | H201 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C21 | C22 | O30 | 118.5° | 120.0° |
| C21 | C22 | O33 | 119.7° | 120.0° |
| C22 | C21 | H212 | 109.4° | 109.4° |
| C22 | C21 | H211 | 109.4° | 109.4° |
| O30 | C22 | O33 | 121.8° | 120.0° |
| C22 | O33 | H1 | 109.5° | 117.0° |
| C23 | C24 | C25 | 108.7° | 109.5° |
| C23 | C24 | C26 | 111.4° | 109.5° |
| C23 | C24 | O29 | 110.6° | 109.5° |
| C24 | C23 | H231 | 109.1° | 109.5° |
| C24 | C23 | H232 | 109.1° | 109.4° |
| C25 | C24 | C26 | 109.1° | 109.5° |
| C25 | C24 | O29 | 110.7° | 109.5° |
| C24 | C25 | C27 | 111.5° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.4° |
| C24 | C25 | H252 | 109.0° | 109.5° |
| C26 | C24 | O29 | 106.4° | 109.5° |
| C24 | C26 | C28 | 112.3° | 109.5° |
| C24 | C26 | H262 | 108.8° | 109.5° |
| C24 | C26 | H261 | 108.8° | 109.5° |
| C24 | O29 | H291 | 109.5° | 114.0° |
| C27 | C25 | H251 | 108.9° | 109.5° |
| C27 | C25 | H252 | 108.9° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C28 | C26 | H262 | 108.7° | 109.4° |
| C28 | C26 | H261 | 108.8° | 109.4° |
| C26 | C28 | H283 | 109.5° | 109.4° |
| C26 | C28 | H281 | 109.5° | 109.4° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.4° | 109.6° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H353 | C35 | H352 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H361 | C36 | H363 | 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° | 179.8° |
| C01 | C02 | C03 | O17 | 175.7° | 179.9° |
| C01 | C02 | C03 | C04 | 2.9° | 0.0° |
| C01 | C02 | C03 | C31 | 179.3° | 180.0° |
| C02 | C01 | C06 | C05 | 1.3° | 0.1° |
| C01 | C02 | O17 | C18 | 110.0° | 0.1° |
| C02 | C01 | C06 | H061 | 178.7° | 180.0° |
| C06 | C01 | C02 | C03 | 2.6° | 0.1° |
| C06 | C01 | C02 | O17 | 178.2° | 180.0° |
| C01 | C06 | C05 | C04 | 0.1° | 0.1° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI07 | 179.2° | 180.0° |
| C02 | C03 | C04 | C31 | 177.5° | 180.0° |
| C02 | C03 | C04 | C05 | 1.8° | 0.0° |
| C02 | C03 | C04 | C35 | 178.7° | 180.0° |
| C03 | C02 | O17 | C18 | 74.5° | 180.0° |
| C03 | C02 | C01 | H011 | 177.4° | 179.7° |
| C02 | C03 | C31 | H311 | 89.2° | 90.1° |
| C02 | C03 | C31 | H313 | 150.8° | 150.0° |
| C02 | C03 | C31 | H312 | 30.8° | 30.0° |
| O17 | C02 | C03 | C04 | 178.6° | 179.9° |
| O17 | C02 | C03 | C31 | 3.6° | 0.1° |
| C02 | O17 | C18 | C19 | 164.7° | 179.9° |
| O17 | C02 | C01 | H011 | 1.8° | 0.2° |
| C02 | O17 | C18 | H182 | 75.7° | 60.1° |
| C02 | O17 | C18 | H181 | 45.1° | 60.0° |
| C03 | C04 | C05 | C35 | 179.5° | 180.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | SI07 | 179.0° | 180.0° |
| C04 | C03 | C31 | H311 | 88.5° | 89.9° |
| C04 | C03 | C31 | H313 | 31.5° | 30.0° |
| C04 | C03 | C31 | H312 | 151.5° | 150.0° |
| C03 | C04 | C35 | H351 | 90.3° | 86.0° |
| C03 | C04 | C35 | H353 | 149.7° | 153.9° |
| C03 | C04 | C35 | H352 | 29.7° | 33.9° |
| C31 | C03 | C04 | C05 | 179.3° | 180.0° |
| C31 | C03 | C04 | C35 | 1.2° | 0.0° |
| C03 | C31 | H311 | H313 | 120.0° | 119.9° |
| C03 | C31 | H311 | H312 | 120.0° | 120.0° |
| C03 | C31 | H313 | H312 | 120.0° | 120.0° |
| C04 | C05 | C06 | SI07 | 179.4° | 180.0° |
| C04 | C05 | SI07 | C08 | 179.3° | 54.8° |
| C04 | C05 | SI07 | C14 | 60.2° | 65.2° |
| C04 | C05 | SI07 | C15 | 64.5° | 174.8° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C05 | C04 | C35 | H351 | 90.2° | 94.0° |
| C05 | C04 | C35 | H353 | 29.8° | 26.0° |
| C05 | C04 | C35 | H352 | 149.8° | 146.1° |
| C35 | C04 | C05 | C06 | 179.9° | 179.9° |
| C35 | C04 | C05 | SI07 | 0.6° | 0.0° |
| C04 | C35 | H351 | H353 | 120.0° | 120.0° |
| C04 | C35 | H351 | H352 | 120.0° | 119.9° |
| C04 | C35 | H353 | H352 | 120.0° | 120.0° |
| C06 | C05 | SI07 | C08 | 1.4° | 125.3° |
| C06 | C05 | SI07 | C14 | 119.1° | 114.7° |
| C06 | C05 | SI07 | C15 | 116.2° | 5.2° |
| C05 | C06 | C01 | H011 | 178.7° | 179.7° |
| C05 | SI07 | C08 | C14 | 124.4° | 120.0° |
| C05 | SI07 | C08 | C15 | 118.2° | 120.0° |
| C05 | SI07 | C14 | C15 | 125.0° | 120.0° |
| C05 | SI07 | C08 | C09 | 67.5° | 83.9° |
| C05 | SI07 | C08 | C13 | 112.0° | 96.7° |
| C05 | SI07 | C15 | H151 | 180.0° | 63.3° |
| C05 | SI07 | C15 | H152 | 60.0° | 176.6° |
| C05 | SI07 | C15 | H153 | 60.0° | 56.7° |
| SI07 | C05 | C06 | H061 | 0.8° | 0.0° |
| C05 | SI07 | C14 | H141 | 180.0° | 68.5° |
| C05 | SI07 | C14 | H143 | 60.0° | 171.5° |
| C05 | SI07 | C14 | H142 | 60.0° | 51.6° |
| C08 | SI07 | C14 | C15 | 114.4° | 120.0° |
| SI07 | C08 | C09 | C13 | 179.5° | 179.4° |
| SI07 | C08 | C09 | C10 | 178.9° | 180.0° |
| SI07 | C08 | C09 | C36 | 0.1° | 0.0° |
| SI07 | C08 | C13 | C12 | 179.9° | 179.8° |
| SI07 | C08 | C13 | H131 | 0.1° | 0.5° |
| C08 | SI07 | C15 | H151 | 63.4° | 176.7° |
| C08 | SI07 | C15 | H152 | 176.6° | 56.6° |
| C08 | SI07 | C15 | H153 | 56.6° | 63.4° |
| C08 | SI07 | C14 | H141 | 59.4° | 51.5° |
| C08 | SI07 | C14 | H143 | 60.6° | 68.5° |
| C08 | SI07 | C14 | H142 | 179.4° | 171.6° |
| C14 | SI07 | C08 | C09 | 56.9° | 156.2° |
| C14 | SI07 | C08 | C13 | 123.6° | 23.3° |
| C14 | SI07 | C15 | H151 | 52.8° | 56.7° |
| C14 | SI07 | C15 | H152 | 67.2° | 63.4° |
| C14 | SI07 | C15 | H153 | 172.8° | 176.6° |
| SI07 | C14 | H141 | H143 | 120.0° | 119.9° |
| SI07 | C14 | H141 | H142 | 120.0° | 120.1° |
| SI07 | C14 | H143 | H142 | 120.0° | 119.9° |
| C15 | SI07 | C08 | C09 | 174.3° | 36.1° |
| C15 | SI07 | C08 | C13 | 6.2° | 143.3° |
| SI07 | C15 | H151 | H152 | 120.0° | 120.0° |
| SI07 | C15 | H151 | H153 | 120.0° | 120.0° |
| SI07 | C15 | H152 | H153 | 120.0° | 119.9° |
| C15 | SI07 | C14 | H141 | 55.0° | 171.5° |
| C15 | SI07 | C14 | H143 | 175.0° | 51.5° |
| C15 | SI07 | C14 | H142 | 65.0° | 68.4° |
| C08 | C09 | C10 | C36 | 179.0° | 179.9° |
| C08 | C09 | C10 | C11 | 1.2° | 0.0° |
| C08 | C09 | C10 | C32 | 179.7° | 179.7° |
| C09 | C08 | C13 | C12 | 0.4° | 0.8° |
| C09 | C08 | C13 | H131 | 179.6° | 179.9° |
| C08 | C09 | C36 | H362 | 90.5° | 86.8° |
| C08 | C09 | C36 | H361 | 149.5° | 153.2° |
| C08 | C09 | C36 | H363 | 29.5° | 33.2° |
| C13 | C08 | C09 | C10 | 0.6° | 0.6° |
| C13 | C08 | C09 | C36 | 179.6° | 179.5° |
| C08 | C13 | C12 | C11 | 0.7° | 0.5° |
| C08 | C13 | C12 | H131 | 180.0° | 179.3° |
| C08 | C13 | C12 | H121 | 179.3° | 179.5° |
| C09 | C10 | C11 | C32 | 179.1° | 179.7° |
| C09 | C10 | C11 | C12 | 0.9° | 0.3° |
| C09 | C10 | C11 | O16 | 179.9° | 179.7° |
| C09 | C10 | C32 | H322 | 89.5° | 89.7° |
| C09 | C10 | C32 | H321 | 150.5° | 30.3° |
| C09 | C10 | C32 | H323 | 30.5° | 150.3° |
| C10 | C09 | C36 | H362 | 90.5° | 93.3° |
| C10 | C09 | C36 | H361 | 29.5° | 26.8° |
| C10 | C09 | C36 | H363 | 149.5° | 146.8° |
| C36 | C09 | C10 | C11 | 179.8° | 180.0° |
| C36 | C09 | C10 | C32 | 0.7° | 0.3° |
| C09 | C36 | H362 | H361 | 120.0° | 120.1° |
| C09 | C36 | H362 | H363 | 120.0° | 120.0° |
| C09 | C36 | H361 | H363 | 120.0° | 120.0° |
| C10 | C11 | C12 | O16 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | O16 | C23 | 177.5° | 180.0° |
| C10 | C11 | C12 | H121 | 180.0° | 180.0° |
| C11 | C10 | C32 | H322 | 89.6° | 90.0° |
| C11 | C10 | C32 | H321 | 30.5° | 150.0° |
| C11 | C10 | C32 | H323 | 150.5° | 30.0° |
| C32 | C10 | C11 | C12 | 180.0° | 180.0° |
| C32 | C10 | C11 | O16 | 1.1° | 0.1° |
| C10 | C32 | H322 | H321 | 120.0° | 120.0° |
| C10 | C32 | H322 | H323 | 120.0° | 120.0° |
| C10 | C32 | H321 | H323 | 120.0° | 120.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | O16 | C23 | 3.6° | 0.0° |
| C11 | C12 | C13 | H131 | 179.3° | 179.7° |
| O16 | C11 | C12 | C13 | 178.9° | 180.0° |
| C11 | O16 | C23 | C24 | 174.3° | 180.0° |
| O16 | C11 | C12 | H121 | 1.1° | 0.0° |
| C11 | O16 | C23 | H231 | 65.5° | 60.0° |
| C11 | O16 | C23 | H232 | 54.1° | 60.0° |
| O16 | C23 | C24 | H231 | 120.2° | 120.0° |
| O16 | C23 | C24 | H232 | 120.2° | 120.0° |
| O16 | C23 | C24 | C25 | 171.7° | 53.1° |
| O16 | C23 | C24 | C26 | 68.0° | 173.1° |
| O16 | C23 | C24 | O29 | 50.1° | 66.9° |
| O16 | C23 | H231 | H232 | 119.4° | 120.0° |
| O17 | C18 | C19 | H182 | 119.6° | 119.9° |
| O17 | C18 | C19 | H181 | 119.6° | 120.0° |
| O17 | C18 | C19 | C20 | 167.9° | 175.0° |
| O17 | C18 | C19 | O34 | 70.6° | 65.0° |
| O17 | C18 | H182 | H181 | 121.1° | 120.0° |
| O17 | C18 | C19 | H191 | 50.7° | 54.9° |
| C18 | C19 | C20 | O34 | 122.0° | 120.1° |
| C18 | C19 | C20 | H191 | 117.5° | 120.0° |
| C18 | C19 | O34 | H191 | 120.1° | 120.0° |
| C18 | C19 | C20 | C21 | 173.5° | 175.0° |
| C18 | C19 | C20 | H202 | 66.5° | 55.0° |
| C18 | C19 | C20 | H201 | 53.5° | 65.0° |
| C19 | C18 | H182 | H181 | 121.2° | 120.0° |
| C18 | C19 | O34 | H341 | 138.8° | 60.0° |
| C20 | C19 | O34 | H191 | 119.1° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | C21 | H201 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 96.7° | 180.0° |
| C19 | C20 | H202 | H201 | 119.9° | 120.0° |
| C19 | C20 | C21 | H212 | 143.2° | 60.0° |
| C19 | C20 | C21 | H211 | 23.3° | 60.0° |
| C20 | C19 | C18 | H182 | 72.5° | 55.0° |
| C20 | C19 | C18 | H181 | 48.3° | 65.0° |
| C20 | C19 | O34 | H341 | 18.1° | 60.1° |
| O34 | C19 | C20 | C21 | 64.5° | 65.0° |
| O34 | C19 | C20 | H202 | 55.5° | 175.0° |
| O34 | C19 | C20 | H201 | 175.4° | 55.0° |
| O34 | C19 | C18 | H182 | 49.0° | 175.1° |
| O34 | C19 | C18 | H181 | 169.8° | 55.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | O30 | 63.4° | 0.0° |
| C20 | C21 | C22 | O33 | 117.4° | 180.0° |
| C21 | C20 | H202 | H201 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 119.9° | 120.1° |
| C21 | C20 | C19 | H191 | 56.0° | 55.0° |
| C21 | C22 | O30 | O33 | 179.2° | 180.0° |
| C22 | C21 | C20 | H202 | 23.3° | 60.0° |
| C22 | C21 | C20 | H201 | 143.2° | 60.0° |
| C22 | C21 | H212 | H211 | 119.9° | 120.0° |
| C21 | C22 | O33 | H1 | 179.2° | 180.0° |
| O30 | C22 | C21 | H212 | 176.6° | 120.0° |
| O30 | C22 | C21 | H211 | 56.7° | 120.0° |
| O30 | C22 | O33 | H1 | 0.0° | 0.0° |
| O33 | C22 | C21 | H212 | 2.7° | 60.0° |
| O33 | C22 | C21 | H211 | 122.6° | 60.0° |
| C23 | C24 | C25 | C26 | 121.7° | 120.0° |
| C23 | C24 | C25 | O29 | 121.6° | 120.0° |
| C23 | C24 | C26 | O29 | 120.6° | 120.0° |
| C23 | C24 | C25 | C27 | 179.0° | 64.8° |
| C23 | C24 | C26 | C28 | 50.5° | 175.0° |
| C23 | C24 | C26 | H262 | 69.8° | 55.0° |
| C23 | C24 | C26 | H261 | 171.0° | 65.0° |
| C24 | C23 | H231 | H232 | 119.4° | 120.0° |
| C23 | C24 | C25 | H251 | 60.7° | 175.2° |
| C23 | C24 | C25 | H252 | 58.7° | 55.3° |
| C23 | C24 | O29 | H291 | 180.0° | 60.0° |
| C25 | C24 | C26 | O29 | 119.4° | 120.0° |
| C24 | C25 | C27 | H251 | 120.3° | 120.0° |
| C24 | C25 | C27 | H252 | 120.3° | 120.0° |
| C25 | C24 | C26 | C28 | 69.4° | 55.0° |
| C25 | C24 | C26 | H262 | 170.2° | 65.0° |
| C25 | C24 | C26 | H261 | 51.0° | 175.0° |
| C25 | C24 | C23 | H231 | 51.5° | 173.1° |
| C25 | C24 | C23 | H232 | 68.1° | 66.9° |
| C24 | C25 | H251 | H252 | 119.1° | 120.0° |
| C24 | C25 | C27 | H271 | 180.0° | 175.1° |
| C24 | C25 | C27 | H272 | 60.0° | 55.1° |
| C24 | C25 | C27 | H273 | 60.0° | 64.9° |
| C25 | C24 | O29 | H291 | 59.5° | 180.0° |
| C26 | C24 | C25 | C27 | 57.3° | 55.2° |
| C24 | C26 | C28 | H262 | 120.4° | 120.0° |
| C24 | C26 | C28 | H261 | 120.4° | 120.0° |
| C24 | C26 | H262 | H261 | 118.7° | 120.1° |
| C24 | C26 | C28 | H283 | 180.0° | 60.0° |
| C24 | C26 | C28 | H281 | 60.0° | 60.0° |
| C24 | C26 | C28 | H282 | 60.0° | 180.0° |
| C26 | C24 | C23 | H231 | 171.8° | 66.9° |
| C26 | C24 | C23 | H232 | 52.2° | 53.1° |
| C26 | C24 | C25 | H251 | 177.6° | 64.8° |
| C26 | C24 | C25 | H252 | 63.0° | 175.3° |
| C26 | C24 | O29 | H291 | 58.9° | 60.0° |
| O29 | C24 | C25 | C27 | 59.4° | 175.2° |
| O29 | C24 | C26 | C28 | 171.1° | 65.0° |
| O29 | C24 | C26 | H262 | 50.7° | 175.0° |
| O29 | C24 | C26 | H261 | 68.5° | 55.0° |
| O29 | C24 | C23 | H231 | 70.1° | 53.1° |
| O29 | C24 | C23 | H232 | 170.2° | 173.0° |
| O29 | C24 | C25 | H251 | 60.9° | 55.2° |
| O29 | C24 | C25 | H252 | 179.8° | 64.7° |
| C27 | C25 | H251 | H252 | 119.1° | 120.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 120.0° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| C28 | C26 | H262 | H261 | 118.7° | 119.9° |
| C26 | C28 | H283 | H281 | 120.0° | 119.9° |
| C26 | C28 | H283 | H282 | 120.0° | 120.0° |
| C26 | C28 | H281 | H282 | 120.0° | 120.1° |
| H131 | C13 | C12 | H121 | 0.7° | 0.2° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
| H202 | C20 | C21 | H212 | 96.8° | 60.0° |
| H202 | C20 | C21 | H211 | 143.3° | 180.0° |
| H202 | C20 | C19 | H191 | 176.0° | 65.0° |
| H201 | C20 | C21 | H212 | 23.2° | 180.0° |
| H201 | C20 | C21 | H211 | 96.7° | 59.9° |
| H201 | C20 | C19 | H191 | 64.0° | 175.0° |
| H262 | C26 | C28 | H283 | 59.6° | 180.0° |
| H262 | C26 | C28 | H281 | 179.6° | 60.1° |
| H262 | C26 | C28 | H282 | 60.4° | 60.0° |
| H261 | C26 | C28 | H283 | 59.5° | 60.1° |
| H261 | C26 | C28 | H281 | 60.5° | 180.0° |
| H261 | C26 | C28 | H282 | 179.6° | 59.9° |
| H283 | C28 | H281 | H282 | 120.0° | 120.0° |
| H011 | C01 | C06 | H061 | 1.3° | 0.3° |
| H141 | C14 | H143 | H142 | 120.0° | 120.1° |
| H182 | C18 | C19 | H191 | 170.3° | 65.0° |
| H181 | C18 | C19 | H191 | 69.0° | 174.9° |
| H191 | C19 | O34 | H341 | 101.1° | 180.0° |
| H251 | C25 | C27 | H271 | 59.7° | 64.9° |
| H251 | C25 | C27 | H272 | 179.7° | 175.1° |
| H251 | C25 | C27 | H273 | 60.3° | 55.1° |
| H252 | C25 | C27 | H271 | 59.7° | 55.1° |
| H252 | C25 | C27 | H272 | 60.3° | 64.9° |
| H252 | C25 | C27 | H273 | 179.7° | 175.1° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H311 | C31 | H313 | H312 | 120.1° | 120.0° |
| H322 | C32 | H321 | H323 | 120.0° | 120.0° |
| H351 | C35 | H353 | H352 | 120.0° | 120.0° |
| H362 | C36 | H361 | H363 | 120.0° | 120.0° |
