A1L7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O17 | sing | 1.36Å | 1.42Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C31 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | SI07 | sing | 1.87Å | 1.92Å | |
| SI07 | C08 | sing | 1.87Å | 1.92Å | |
| SI07 | C14 | sing | 1.86Å | 1.89Å | |
| SI07 | C15 | sing | 1.86Å | 1.89Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C32 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.42Å | |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| O16 | C23 | sing | 1.43Å | 1.40Å | |
| O17 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O34 | sing | 1.43Å | 1.39Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C22 | O30 | doub | 1.21Å | 1.26Å | |
| C22 | O33 | sing | 1.34Å | 1.26Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | O29 | sing | 1.43Å | 1.40Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C31 | C36 | sing | 1.53Å | 1.51Å | |
| C32 | C35 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | 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 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | 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 | |
| C09 | H091 | 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 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | 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 | |
| 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 | 119.4° | 120.0° |
| C01 | C02 | C03 | 119.0° | 119.9° |
| C01 | C02 | O17 | 122.8° | 120.0° |
| C02 | C01 | H011 | 120.3° | 120.0° |
| C01 | C06 | C05 | 120.2° | 120.0° |
| C06 | C01 | H011 | 120.3° | 120.0° |
| C01 | C06 | H061 | 119.9° | 120.0° |
| C03 | C02 | O17 | 118.2° | 120.1° |
| C02 | C03 | C04 | 122.3° | 119.9° |
| C02 | C03 | C31 | 119.0° | 120.0° |
| C02 | O17 | C18 | 114.9° | 117.0° |
| C04 | C03 | C31 | 118.6° | 120.0° |
| C03 | C04 | C05 | 118.9° | 120.0° |
| C03 | C04 | H041 | 120.5° | 119.9° |
| C03 | C31 | C36 | 96.5° | 109.5° |
| C03 | C31 | H312 | 112.6° | 109.5° |
| C03 | C31 | H311 | 112.6° | 109.5° |
| C04 | C05 | C06 | 120.2° | 120.1° |
| C04 | C05 | SI07 | 116.9° | 119.9° |
| C05 | C04 | H041 | 120.6° | 120.0° |
| C06 | C05 | SI07 | 123.0° | 119.9° |
| C05 | C06 | H061 | 119.9° | 120.0° |
| C05 | SI07 | C08 | 110.2° | 109.5° |
| C05 | SI07 | C14 | 107.8° | 109.5° |
| C05 | SI07 | C15 | 109.7° | 109.5° |
| C08 | SI07 | C14 | 108.5° | 109.5° |
| C08 | SI07 | C15 | 110.6° | 109.5° |
| SI07 | C08 | C09 | 116.3° | 119.9° |
| SI07 | C08 | C13 | 123.2° | 120.0° |
| C14 | SI07 | C15 | 110.0° | 109.5° |
| SI07 | C14 | H141 | 109.5° | 109.5° |
| SI07 | C14 | H143 | 109.4° | 109.5° |
| SI07 | C14 | H142 | 109.5° | 109.5° |
| SI07 | C15 | H153 | 109.5° | 109.5° |
| SI07 | C15 | H151 | 109.5° | 109.4° |
| SI07 | C15 | H152 | 109.4° | 109.4° |
| C09 | C08 | C13 | 120.5° | 120.1° |
| C08 | C09 | C10 | 119.5° | 120.0° |
| C08 | C09 | H091 | 120.2° | 120.0° |
| C08 | C13 | C12 | 119.7° | 120.1° |
| C08 | C13 | H131 | 120.1° | 120.0° |
| C09 | C10 | C11 | 120.9° | 119.9° |
| C09 | C10 | C32 | 119.3° | 120.0° |
| C10 | C09 | H091 | 120.2° | 119.9° |
| C11 | C10 | C32 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.0° | 119.9° |
| C10 | C11 | O16 | 116.8° | 120.0° |
| C10 | C32 | C35 | 108.6° | 109.5° |
| C10 | C32 | H321 | 109.7° | 109.4° |
| C10 | C32 | H322 | 109.7° | 109.5° |
| C12 | C11 | O16 | 123.2° | 120.1° |
| C11 | C12 | C13 | 119.3° | 120.0° |
| C11 | C12 | H121 | 120.4° | 120.0° |
| C11 | O16 | C23 | 117.7° | 117.0° |
| C12 | C13 | H131 | 120.1° | 119.9° |
| C13 | C12 | H121 | 120.3° | 120.1° |
| O16 | C23 | C24 | 107.4° | 109.5° |
| O16 | C23 | H232 | 110.0° | 109.5° |
| O16 | C23 | H231 | 110.0° | 109.5° |
| O17 | C18 | C19 | 112.6° | 109.5° |
| O17 | C18 | H182 | 108.7° | 109.5° |
| O17 | C18 | H181 | 108.7° | 109.5° |
| C18 | C19 | C20 | 113.1° | 109.5° |
| C18 | C19 | O34 | 107.0° | 109.4° |
| C19 | C18 | H182 | 108.7° | 109.5° |
| C19 | C18 | H181 | 108.7° | 109.4° |
| C18 | C19 | H191 | 109.0° | 109.4° |
| C20 | C19 | O34 | 107.4° | 109.5° |
| C19 | C20 | C21 | 109.9° | 109.4° |
| C19 | C20 | H201 | 109.4° | 109.5° |
| C19 | C20 | H202 | 109.4° | 109.4° |
| C20 | C19 | H191 | 109.2° | 109.5° |
| O34 | C19 | H191 | 111.1° | 109.5° |
| C19 | O34 | H341 | 109.5° | 114.0° |
| C20 | C21 | C22 | 112.9° | 109.4° |
| C21 | C20 | H201 | 109.3° | 109.5° |
| C21 | C20 | H202 | 109.4° | 109.5° |
| C20 | C21 | H211 | 108.6° | 109.5° |
| C20 | C21 | H212 | 108.6° | 109.5° |
| C21 | C22 | O30 | 120.2° | 120.0° |
| C21 | C22 | O33 | 120.4° | 120.0° |
| C22 | C21 | H211 | 108.6° | 109.4° |
| C22 | C21 | H212 | 108.6° | 109.5° |
| O30 | C22 | O33 | 119.5° | 120.0° |
| C22 | O33 | H1 | 109.5° | 117.0° |
| C23 | C24 | C25 | 108.3° | 109.5° |
| C23 | C24 | C26 | 110.5° | 109.5° |
| C23 | C24 | O29 | 109.2° | 109.5° |
| C24 | C23 | H232 | 110.0° | 109.4° |
| C24 | C23 | H231 | 110.0° | 109.5° |
| C25 | C24 | C26 | 110.5° | 109.5° |
| C25 | C24 | O29 | 110.3° | 109.5° |
| C24 | C25 | C27 | 110.6° | 109.5° |
| C24 | C25 | H252 | 109.2° | 109.4° |
| C24 | C25 | H251 | 109.2° | 109.4° |
| C26 | C24 | O29 | 108.1° | 109.5° |
| C24 | C26 | C28 | 110.8° | 109.5° |
| C24 | C26 | H262 | 109.1° | 109.5° |
| C24 | C26 | H261 | 109.2° | 109.5° |
| C24 | O29 | H291 | 109.5° | 114.0° |
| C27 | C25 | H252 | 109.2° | 109.5° |
| C27 | C25 | H251 | 109.2° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C28 | C26 | H262 | 109.2° | 109.5° |
| C28 | C26 | H261 | 109.1° | 109.5° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C36 | C31 | H312 | 112.6° | 109.4° |
| C36 | C31 | H311 | 112.6° | 109.4° |
| C31 | C36 | H363 | 109.5° | 109.5° |
| C31 | C36 | H362 | 109.5° | 109.5° |
| C31 | C36 | H361 | 109.5° | 109.4° |
| C35 | C32 | H321 | 109.7° | 109.5° |
| C35 | C32 | H322 | 109.7° | 109.5° |
| C32 | C35 | H351 | 109.5° | 109.5° |
| C32 | C35 | H352 | 109.5° | 109.4° |
| C32 | C35 | H353 | 109.5° | 109.5° |
| H153 | C15 | H151 | 109.5° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.4° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.4° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.4° | 109.4° |
| H272 | C27 | H271 | 109.4° | 109.4° |
| H273 | C27 | H271 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.4° | 109.5° |
| H363 | C36 | H362 | 109.4° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H361 | 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 | O17 | 179.2° | 180.0° |
| C01 | C02 | C03 | C04 | 2.0° | 0.1° |
| C01 | C02 | C03 | C31 | 178.3° | 180.0° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C01 | C02 | O17 | C18 | 5.9° | 0.0° |
| C02 | C01 | C06 | H061 | 179.8° | 179.9° |
| C06 | C01 | C02 | C03 | 0.9° | 0.0° |
| C06 | C01 | C02 | O17 | 179.9° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | SI07 | 180.0° | 180.0° |
| C02 | C03 | C04 | C31 | 176.3° | 179.9° |
| C02 | C03 | C04 | C05 | 2.0° | 0.1° |
| C03 | C02 | O17 | C18 | 173.3° | 180.0° |
| C02 | C03 | C31 | C36 | 88.9° | 80.0° |
| C03 | C02 | C01 | H011 | 179.2° | 179.7° |
| C02 | C03 | C04 | H041 | 178.0° | 180.0° |
| C02 | C03 | C31 | H312 | 153.3° | 40.0° |
| C02 | C03 | C31 | H311 | 28.9° | 160.1° |
| O17 | C02 | C03 | C04 | 178.8° | 180.0° |
| O17 | C02 | C03 | C31 | 2.5° | 0.1° |
| C02 | O17 | C18 | C19 | 169.9° | 180.0° |
| O17 | C02 | C01 | H011 | 0.0° | 0.3° |
| C02 | O17 | C18 | H182 | 49.5° | 60.0° |
| C02 | O17 | C18 | H181 | 69.6° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.9° | 0.0° |
| C03 | C04 | C05 | SI07 | 178.9° | 180.0° |
| C04 | C03 | C31 | C36 | 87.5° | 99.9° |
| C04 | C03 | C31 | H312 | 30.3° | 140.1° |
| C04 | C03 | C31 | H311 | 154.7° | 20.0° |
| C31 | C03 | C04 | C05 | 178.3° | 180.0° |
| C03 | C31 | C36 | H312 | 117.8° | 120.1° |
| C03 | C31 | C36 | H311 | 117.8° | 120.0° |
| C31 | C03 | C04 | H041 | 1.7° | 0.1° |
| C03 | C31 | H312 | H311 | 126.0° | 120.0° |
| C03 | C31 | C36 | H363 | 180.0° | 180.0° |
| C03 | C31 | C36 | H362 | 60.0° | 60.0° |
| C03 | C31 | C36 | H361 | 60.0° | 60.0° |
| C04 | C05 | C06 | SI07 | 179.8° | 180.0° |
| C04 | C05 | SI07 | C08 | 162.3° | 90.0° |
| C04 | C05 | SI07 | C14 | 79.4° | 30.0° |
| C04 | C05 | SI07 | C15 | 40.4° | 150.0° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C06 | C05 | SI07 | C08 | 17.9° | 90.0° |
| C06 | C05 | SI07 | C14 | 100.4° | 150.0° |
| C06 | C05 | SI07 | C15 | 139.8° | 30.0° |
| C05 | C06 | C01 | H011 | 179.8° | 179.7° |
| C06 | C05 | C04 | H041 | 179.1° | 179.9° |
| C05 | SI07 | C08 | C14 | 117.9° | 120.0° |
| C05 | SI07 | C08 | C15 | 121.4° | 120.0° |
| C05 | SI07 | C14 | C15 | 119.5° | 120.0° |
| C05 | SI07 | C08 | C09 | 90.6° | 90.0° |
| C05 | SI07 | C08 | C13 | 89.5° | 90.5° |
| C05 | SI07 | C15 | H153 | 180.0° | 60.0° |
| C05 | SI07 | C15 | H151 | 60.0° | 180.0° |
| C05 | SI07 | C15 | H152 | 60.0° | 60.0° |
| SI07 | C05 | C04 | H041 | 1.1° | 0.0° |
| SI07 | C05 | C06 | H061 | 0.0° | 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 | 121.1° | 120.0° |
| SI07 | C08 | C09 | C13 | 179.9° | 179.5° |
| SI07 | C08 | C09 | C10 | 179.9° | 180.0° |
| SI07 | C08 | C13 | C12 | 179.9° | 179.7° |
| SI07 | C08 | C13 | H131 | 0.1° | 0.5° |
| C08 | SI07 | C15 | H153 | 58.2° | 180.0° |
| C08 | SI07 | C15 | H151 | 178.2° | 60.0° |
| C08 | SI07 | C15 | H152 | 61.7° | 60.0° |
| SI07 | C08 | C09 | H091 | 0.1° | 0.0° |
| C08 | SI07 | C14 | H141 | 60.6° | 60.0° |
| C08 | SI07 | C14 | H143 | 59.4° | 59.9° |
| C08 | SI07 | C14 | H142 | 179.4° | 180.0° |
| C14 | SI07 | C08 | C09 | 27.3° | 150.0° |
| C14 | SI07 | C08 | C13 | 152.6° | 29.5° |
| C14 | SI07 | C15 | H153 | 61.6° | 60.0° |
| C14 | SI07 | C15 | H151 | 58.4° | 60.0° |
| C14 | SI07 | C15 | H152 | 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 | 148.0° | 30.0° |
| C15 | SI07 | C08 | C13 | 31.9° | 149.5° |
| SI07 | C15 | H153 | H151 | 120.0° | 120.0° |
| SI07 | C15 | H153 | H152 | 120.0° | 120.0° |
| SI07 | C15 | H151 | H152 | 120.0° | 119.9° |
| C15 | SI07 | C14 | H141 | 60.5° | 180.0° |
| C15 | SI07 | C14 | H143 | 179.5° | 60.0° |
| C15 | SI07 | C14 | H142 | 59.5° | 60.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.0° |
| C08 | C09 | C10 | C32 | 179.6° | 179.7° |
| C09 | C08 | C13 | C12 | 0.0° | 0.8° |
| C09 | C08 | C13 | H131 | 180.0° | 180.0° |
| C13 | C08 | C09 | C10 | 0.1° | 0.6° |
| C08 | C13 | C12 | C11 | 0.1° | 0.5° |
| C08 | C13 | C12 | H131 | 180.0° | 179.2° |
| C13 | C08 | C09 | H091 | 179.9° | 179.5° |
| C08 | C13 | C12 | H121 | 179.9° | 179.5° |
| C09 | C10 | C11 | C32 | 179.7° | 179.8° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | O16 | 179.5° | 179.8° |
| C09 | C10 | C32 | C35 | 80.3° | 94.7° |
| C09 | C10 | C32 | H321 | 159.8° | 25.2° |
| C09 | C10 | C32 | H322 | 39.6° | 145.3° |
| C10 | C11 | C12 | O16 | 179.4° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | O16 | C23 | 164.7° | 180.0° |
| C11 | C10 | C32 | C35 | 99.4° | 85.0° |
| C11 | C10 | C09 | H091 | 180.0° | 180.0° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C11 | C10 | C32 | H321 | 20.5° | 155.0° |
| C11 | C10 | C32 | H322 | 140.8° | 35.0° |
| C32 | C10 | C11 | C12 | 179.8° | 180.0° |
| C32 | C10 | C11 | O16 | 0.8° | 0.0° |
| C10 | C32 | C35 | H321 | 119.9° | 120.0° |
| C10 | C32 | C35 | H322 | 119.9° | 120.0° |
| C32 | C10 | C09 | H091 | 0.4° | 0.3° |
| C10 | C32 | H321 | H322 | 120.4° | 120.0° |
| C10 | C32 | C35 | H351 | 180.0° | 180.0° |
| C10 | C32 | C35 | H352 | 60.0° | 60.0° |
| C10 | C32 | C35 | H353 | 60.0° | 60.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | O16 | C23 | 15.9° | 0.0° |
| C11 | C12 | C13 | H131 | 179.9° | 179.7° |
| O16 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | O16 | C23 | C24 | 177.7° | 180.0° |
| O16 | C11 | C12 | H121 | 0.4° | 0.0° |
| C11 | O16 | C23 | H232 | 62.7° | 60.0° |
| C11 | O16 | C23 | H231 | 58.0° | 60.0° |
| O16 | C23 | C24 | H232 | 119.7° | 120.0° |
| O16 | C23 | C24 | H231 | 119.7° | 120.0° |
| O16 | C23 | C24 | C25 | 172.3° | 175.0° |
| O16 | C23 | C24 | C26 | 66.6° | 55.0° |
| O16 | C23 | C24 | O29 | 52.2° | 65.0° |
| O16 | C23 | H232 | H231 | 121.0° | 120.0° |
| O17 | C18 | C19 | H182 | 120.5° | 120.0° |
| O17 | C18 | C19 | H181 | 120.5° | 120.0° |
| O17 | C18 | C19 | C20 | 63.1° | 175.0° |
| O17 | C18 | C19 | O34 | 178.9° | 65.0° |
| O17 | C18 | H182 | H181 | 118.6° | 120.0° |
| O17 | C18 | C19 | H191 | 58.7° | 55.0° |
| C18 | C19 | C20 | O34 | 117.8° | 120.0° |
| C18 | C19 | C20 | H191 | 121.6° | 119.9° |
| C18 | C19 | O34 | H191 | 118.9° | 119.9° |
| C18 | C19 | C20 | C21 | 169.4° | 175.0° |
| C18 | C19 | C20 | H201 | 70.6° | 55.0° |
| C18 | C19 | C20 | H202 | 49.3° | 65.0° |
| C19 | C18 | H182 | H181 | 118.6° | 119.9° |
| C18 | C19 | O34 | H341 | 180.0° | 60.1° |
| C20 | C19 | O34 | H191 | 119.4° | 120.1° |
| C19 | C20 | C21 | H201 | 120.1° | 120.1° |
| C19 | C20 | C21 | H202 | 120.1° | 119.9° |
| C19 | C20 | C21 | C22 | 78.7° | 180.0° |
| C19 | C20 | H201 | H202 | 119.8° | 120.0° |
| C19 | C20 | C21 | H211 | 160.8° | 60.1° |
| C19 | C20 | C21 | H212 | 41.8° | 60.0° |
| C20 | C19 | C18 | H182 | 176.5° | 55.0° |
| C20 | C19 | C18 | H181 | 57.4° | 65.0° |
| C20 | C19 | O34 | H341 | 58.3° | 59.9° |
| O34 | C19 | C20 | C21 | 72.9° | 65.0° |
| O34 | C19 | C20 | H201 | 47.2° | 175.0° |
| O34 | C19 | C20 | H202 | 167.1° | 55.0° |
| O34 | C19 | C18 | H182 | 58.4° | 175.0° |
| O34 | C19 | C18 | H181 | 60.6° | 55.1° |
| C20 | C21 | C22 | H211 | 120.5° | 120.0° |
| C20 | C21 | C22 | H212 | 120.5° | 120.0° |
| C20 | C21 | C22 | O30 | 130.6° | 0.0° |
| C20 | C21 | C22 | O33 | 50.1° | 180.0° |
| C21 | C20 | H201 | H202 | 119.8° | 120.0° |
| C20 | C21 | H211 | H212 | 118.4° | 120.1° |
| C21 | C20 | C19 | H191 | 47.8° | 55.1° |
| C21 | C22 | O30 | O33 | 179.3° | 180.0° |
| C22 | C21 | C20 | H201 | 41.4° | 60.0° |
| C22 | C21 | C20 | H202 | 161.2° | 60.0° |
| C22 | C21 | H211 | H212 | 118.4° | 120.0° |
| C21 | C22 | O33 | H1 | 179.3° | 180.0° |
| O30 | C22 | C21 | H211 | 10.0° | 120.0° |
| O30 | C22 | C21 | H212 | 108.9° | 120.0° |
| O30 | C22 | O33 | H1 | 0.0° | 0.0° |
| O33 | C22 | C21 | H211 | 170.6° | 60.0° |
| O33 | C22 | C21 | H212 | 70.4° | 60.0° |
| C23 | C24 | C25 | C26 | 121.1° | 120.0° |
| C23 | C24 | C25 | O29 | 119.5° | 120.0° |
| C23 | C24 | C26 | O29 | 119.5° | 120.0° |
| C23 | C24 | C25 | C27 | 175.8° | 59.4° |
| C23 | C24 | C26 | C28 | 59.3° | 179.5° |
| C23 | C24 | C26 | H262 | 60.9° | 60.5° |
| C23 | C24 | C26 | H261 | 179.5° | 59.5° |
| C24 | C23 | H232 | H231 | 121.0° | 120.0° |
| C23 | C24 | C25 | H252 | 55.7° | 60.6° |
| C23 | C24 | C25 | H251 | 64.0° | 179.4° |
| C23 | C24 | O29 | H291 | 180.0° | 60.0° |
| C25 | C24 | C26 | O29 | 120.7° | 120.0° |
| C24 | C25 | C27 | H252 | 120.1° | 120.0° |
| C24 | C25 | C27 | H251 | 120.1° | 120.0° |
| C25 | C24 | C26 | C28 | 60.5° | 60.5° |
| C25 | C24 | C26 | H262 | 179.3° | 59.5° |
| C25 | C24 | C26 | H261 | 59.8° | 179.5° |
| C25 | C24 | C23 | H232 | 52.7° | 55.0° |
| C25 | C24 | C23 | H231 | 68.0° | 65.0° |
| C24 | C25 | H252 | H251 | 119.5° | 119.9° |
| C24 | C25 | C27 | H272 | 180.0° | 63.7° |
| C24 | C25 | C27 | H273 | 60.0° | 56.3° |
| C24 | C25 | C27 | H271 | 60.0° | 176.4° |
| C25 | C24 | O29 | H291 | 61.1° | 60.0° |
| C26 | C24 | C25 | C27 | 63.1° | 179.4° |
| C24 | C26 | C28 | H262 | 120.2° | 120.0° |
| C24 | C26 | C28 | H261 | 120.2° | 120.0° |
| C24 | C26 | H262 | H261 | 119.4° | 120.0° |
| C24 | C26 | C28 | H283 | 180.0° | 53.6° |
| C24 | C26 | C28 | H282 | 60.0° | 66.3° |
| C24 | C26 | C28 | H281 | 60.0° | 173.7° |
| C26 | C24 | C23 | H232 | 173.8° | 65.0° |
| C26 | C24 | C23 | H231 | 53.1° | 175.0° |
| C26 | C24 | C25 | H252 | 176.8° | 59.4° |
| C26 | C24 | C25 | H251 | 57.1° | 60.6° |
| C26 | C24 | O29 | H291 | 59.7° | 180.0° |
| O29 | C24 | C25 | C27 | 56.4° | 60.6° |
| O29 | C24 | C26 | C28 | 178.8° | 59.5° |
| O29 | C24 | C26 | H262 | 58.6° | 179.5° |
| O29 | C24 | C26 | H261 | 61.0° | 60.5° |
| O29 | C24 | C23 | H232 | 67.4° | 175.0° |
| O29 | C24 | C23 | H231 | 171.9° | 55.0° |
| O29 | C24 | C25 | H252 | 63.8° | 179.4° |
| O29 | C24 | C25 | H251 | 176.5° | 59.4° |
| C27 | C25 | H252 | H251 | 119.5° | 120.1° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| C25 | C27 | H272 | H271 | 120.0° | 120.0° |
| C25 | C27 | H273 | H271 | 120.0° | 120.1° |
| C28 | C26 | H262 | H261 | 119.4° | 120.0° |
| C26 | C28 | H283 | H282 | 120.0° | 120.0° |
| C26 | C28 | H283 | H281 | 120.0° | 120.1° |
| C26 | C28 | H282 | H281 | 120.0° | 120.0° |
| C36 | C31 | H312 | H311 | 126.1° | 119.9° |
| C31 | C36 | H363 | H362 | 120.0° | 120.0° |
| C31 | C36 | H363 | H361 | 120.0° | 120.0° |
| C31 | C36 | H362 | H361 | 120.0° | 119.9° |
| C35 | C32 | H321 | H322 | 120.4° | 120.0° |
| C32 | C35 | H351 | H352 | 120.0° | 120.0° |
| C32 | C35 | H351 | H353 | 120.0° | 120.0° |
| C32 | C35 | H352 | H353 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 0.1° | 0.2° |
| H153 | C15 | H151 | H152 | 120.0° | 120.1° |
| H201 | C20 | C21 | H211 | 79.1° | 60.0° |
| H201 | C20 | C21 | H212 | 161.9° | 180.0° |
| H201 | C20 | C19 | H191 | 167.8° | 65.0° |
| H202 | C20 | C21 | H211 | 40.7° | 180.0° |
| H202 | C20 | C21 | H212 | 78.3° | 59.9° |
| H202 | C20 | C19 | H191 | 72.3° | 175.0° |
| H262 | C26 | C28 | H283 | 59.8° | 173.6° |
| H262 | C26 | C28 | H282 | 179.8° | 53.6° |
| H262 | C26 | C28 | H281 | 60.2° | 66.3° |
| H261 | C26 | C28 | H283 | 59.7° | 66.3° |
| H261 | C26 | C28 | H282 | 60.2° | 173.7° |
| H261 | C26 | C28 | H281 | 179.8° | 53.7° |
| H283 | C28 | H282 | H281 | 120.0° | 119.9° |
| H011 | C01 | C06 | H061 | 0.2° | 0.3° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H182 | C18 | C19 | H191 | 61.8° | 65.0° |
| H181 | C18 | C19 | H191 | 179.2° | 175.0° |
| H191 | C19 | O34 | H341 | 61.1° | 180.0° |
| H252 | C25 | C27 | H272 | 59.9° | 176.4° |
| H252 | C25 | C27 | H273 | 179.8° | 63.7° |
| H252 | C25 | C27 | H271 | 60.1° | 56.4° |
| H251 | C25 | C27 | H272 | 59.9° | 56.3° |
| H251 | C25 | C27 | H273 | 60.1° | 176.3° |
| H251 | C25 | C27 | H271 | 179.9° | 63.6° |
| H272 | C27 | H273 | H271 | 119.9° | 119.9° |
| H312 | C31 | C36 | H363 | 62.2° | 59.9° |
| H312 | C31 | C36 | H362 | 177.8° | 180.0° |
| H312 | C31 | C36 | H361 | 57.8° | 60.1° |
| H311 | C31 | C36 | H363 | 62.2° | 60.0° |
| H311 | C31 | C36 | H362 | 57.8° | 60.0° |
| H311 | C31 | C36 | H361 | 177.8° | 180.0° |
| H321 | C32 | C35 | H351 | 60.1° | 60.0° |
| H321 | C32 | C35 | H352 | 179.9° | 180.0° |
| H321 | C32 | C35 | H353 | 59.9° | 59.9° |
| H322 | C32 | C35 | H351 | 60.1° | 60.0° |
| H322 | C32 | C35 | H352 | 59.9° | 60.0° |
| H322 | C32 | C35 | H353 | 179.8° | 179.9° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
