A1L71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.36Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.36Å | Aromatic |
| C02 | O17 | sing | 1.36Å | 1.35Å | |
| C03 | C04 | doub | 1.38Å | 1.35Å | Aromatic |
| C03 | C31 | sing | 1.51Å | 1.50Å | |
| C04 | C05 | sing | 1.38Å | 1.34Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | SI07 | sing | 1.87Å | 1.85Å | |
| SI07 | C08 | sing | 1.87Å | 1.88Å | |
| SI07 | C14 | sing | 1.86Å | 1.87Å | |
| SI07 | C15 | sing | 1.86Å | 1.86Å | |
| C08 | C09 | doub | 1.38Å | 1.36Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C32 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| O16 | C23 | sing | 1.43Å | 1.37Å | |
| O17 | C18 | sing | 1.43Å | 1.35Å | |
| C18 | C19 | sing | 1.53Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | O34 | sing | 1.43Å | 1.35Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | O30 | doub | 1.21Å | 1.25Å | |
| C22 | O33 | sing | 1.34Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | O29 | sing | 1.43Å | 1.36Å | |
| C25 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | C28 | sing | 1.53Å | 1.50Å | |
| 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 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | 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 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | 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 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | 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 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | 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 | 118.9° | 119.9° |
| C01 | C02 | C03 | 120.4° | 119.9° |
| C01 | C02 | O17 | 118.3° | 120.0° |
| C02 | C01 | H011 | 120.6° | 120.0° |
| C01 | C06 | C05 | 120.4° | 120.0° |
| C06 | C01 | H011 | 120.5° | 120.0° |
| C01 | C06 | H061 | 119.8° | 120.0° |
| C03 | C02 | O17 | 121.3° | 120.1° |
| C02 | C03 | C04 | 120.3° | 119.9° |
| C02 | C03 | C31 | 123.1° | 120.0° |
| C02 | O17 | C18 | 115.3° | 117.0° |
| C04 | C03 | C31 | 116.5° | 120.0° |
| C03 | C04 | C05 | 119.7° | 120.1° |
| C03 | C04 | H041 | 120.2° | 120.0° |
| C03 | C31 | H311 | 109.5° | 109.5° |
| C03 | C31 | H312 | 109.5° | 109.5° |
| C03 | C31 | H313 | 109.4° | 109.5° |
| C04 | C05 | C06 | 120.3° | 120.1° |
| C04 | C05 | SI07 | 118.5° | 119.9° |
| C05 | C04 | H041 | 120.1° | 120.0° |
| C06 | C05 | SI07 | 121.2° | 119.9° |
| C05 | C06 | H061 | 119.9° | 120.0° |
| C05 | SI07 | C08 | 114.1° | 109.5° |
| C05 | SI07 | C14 | 106.1° | 109.4° |
| C05 | SI07 | C15 | 108.9° | 109.5° |
| C08 | SI07 | C14 | 106.6° | 109.5° |
| C08 | SI07 | C15 | 108.6° | 109.5° |
| SI07 | C08 | C09 | 117.2° | 119.9° |
| SI07 | C08 | C13 | 123.9° | 120.0° |
| C14 | SI07 | C15 | 112.6° | 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° | 109.5° |
| SI07 | C15 | H152 | 109.5° | 109.5° |
| SI07 | C15 | H153 | 109.5° | 109.4° |
| C09 | C08 | C13 | 118.9° | 120.1° |
| C08 | C09 | C10 | 120.8° | 120.1° |
| C08 | C09 | H091 | 119.6° | 119.9° |
| C08 | C13 | C12 | 120.2° | 120.1° |
| C08 | C13 | H131 | 119.9° | 119.9° |
| C09 | C10 | C11 | 121.2° | 119.9° |
| C09 | C10 | C32 | 117.7° | 120.0° |
| C10 | C09 | H091 | 119.6° | 120.0° |
| C11 | C10 | C32 | 121.1° | 120.1° |
| C10 | C11 | C12 | 118.2° | 119.9° |
| C10 | C11 | O16 | 118.4° | 120.1° |
| C10 | C32 | H322 | 109.5° | 109.5° |
| C10 | C32 | H321 | 109.5° | 109.5° |
| C10 | C32 | H323 | 109.5° | 109.4° |
| C12 | C11 | O16 | 123.5° | 120.0° |
| C11 | C12 | C13 | 120.6° | 119.9° |
| C11 | C12 | H121 | 119.7° | 120.1° |
| C11 | O16 | C23 | 120.3° | 117.0° |
| C12 | C13 | H131 | 119.9° | 120.0° |
| C13 | C12 | H121 | 119.7° | 120.0° |
| O16 | C23 | C24 | 110.8° | 109.5° |
| O16 | C23 | H231 | 109.1° | 109.5° |
| O16 | C23 | H232 | 109.2° | 109.5° |
| O17 | C18 | C19 | 104.4° | 109.5° |
| O17 | C18 | H181 | 110.7° | 109.5° |
| O17 | C18 | H182 | 110.7° | 109.4° |
| C18 | C19 | C20 | 111.9° | 109.5° |
| C18 | C19 | O34 | 98.2° | 109.5° |
| C19 | C18 | H181 | 110.7° | 109.4° |
| C19 | C18 | H182 | 110.7° | 109.5° |
| C18 | C19 | H191 | 111.5° | 109.5° |
| C20 | C19 | O34 | 109.9° | 109.5° |
| C19 | C20 | C21 | 108.1° | 109.4° |
| C19 | C20 | H201 | 109.8° | 109.5° |
| C19 | C20 | H202 | 109.8° | 109.4° |
| C20 | C19 | H191 | 111.0° | 109.5° |
| O34 | C19 | H191 | 113.7° | 109.5° |
| C19 | O34 | H341 | 109.5° | 114.0° |
| C20 | C21 | C22 | 113.3° | 109.4° |
| C21 | C20 | H201 | 109.8° | 109.5° |
| C21 | C20 | H202 | 109.8° | 109.5° |
| C20 | C21 | H212 | 108.5° | 109.5° |
| C20 | C21 | H211 | 108.5° | 109.5° |
| C21 | C22 | O30 | 120.3° | 120.0° |
| C21 | C22 | O33 | 118.8° | 120.0° |
| C22 | C21 | H212 | 108.5° | 109.5° |
| C22 | C21 | H211 | 108.5° | 109.4° |
| O30 | C22 | O33 | 121.0° | 119.9° |
| C22 | O33 | H1 | 109.5° | 117.0° |
| C23 | C24 | C25 | 110.3° | 109.4° |
| C23 | C24 | C26 | 108.5° | 109.5° |
| C23 | C24 | O29 | 110.0° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.4° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C25 | C24 | C26 | 108.0° | 109.5° |
| C25 | C24 | O29 | 108.6° | 109.5° |
| C24 | C25 | C27 | 111.5° | 109.4° |
| C24 | C25 | H252 | 109.0° | 109.4° |
| C24 | C25 | H251 | 108.9° | 109.4° |
| C26 | C24 | O29 | 111.4° | 109.5° |
| C24 | C26 | C28 | 110.8° | 109.5° |
| C24 | C26 | H261 | 109.1° | 109.5° |
| C24 | C26 | H262 | 109.1° | 109.5° |
| C24 | O29 | H291 | 109.5° | 114.0° |
| C27 | C25 | H252 | 109.0° | 109.5° |
| C27 | C25 | H251 | 109.0° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.4° |
| C25 | C27 | H272 | 109.4° | 109.5° |
| C28 | C26 | H261 | 109.1° | 109.4° |
| C28 | C26 | H262 | 109.2° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H283 | 109.5° | 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 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.4° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 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 | O17 | 177.8° | 180.0° |
| C01 | C02 | C03 | C04 | 1.4° | 0.0° |
| C01 | C02 | C03 | C31 | 179.0° | 179.9° |
| C02 | C01 | C06 | C05 | 1.7° | 0.0° |
| C01 | C02 | O17 | C18 | 128.5° | 0.0° |
| C02 | C01 | C06 | H061 | 178.3° | 179.9° |
| C06 | C01 | C02 | C03 | 1.3° | 0.0° |
| C06 | C01 | C02 | O17 | 179.2° | 180.0° |
| C01 | C06 | C05 | C04 | 2.2° | 0.1° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | SI07 | 179.5° | 180.0° |
| C02 | C03 | C04 | C31 | 179.6° | 179.9° |
| C02 | C03 | C04 | C05 | 1.9° | 0.0° |
| C03 | C02 | O17 | C18 | 53.7° | 180.0° |
| C03 | C02 | C01 | H011 | 178.7° | 179.7° |
| C02 | C03 | C04 | H041 | 178.1° | 180.0° |
| C02 | C03 | C31 | H311 | 89.8° | 90.0° |
| C02 | C03 | C31 | H312 | 150.3° | 150.0° |
| C02 | C03 | C31 | H313 | 30.3° | 30.0° |
| O17 | C02 | C03 | C04 | 179.2° | 180.0° |
| O17 | C02 | C03 | C31 | 1.2° | 0.0° |
| C02 | O17 | C18 | C19 | 162.5° | 180.0° |
| O17 | C02 | C01 | H011 | 0.8° | 0.4° |
| C02 | O17 | C18 | H181 | 43.3° | 60.0° |
| C02 | O17 | C18 | H182 | 78.4° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 2.3° | 0.1° |
| C03 | C04 | C05 | SI07 | 179.6° | 180.0° |
| C04 | C03 | C31 | H311 | 89.8° | 90.0° |
| C04 | C03 | C31 | H312 | 30.2° | 30.0° |
| C04 | C03 | C31 | H313 | 150.2° | 150.0° |
| C31 | C03 | C04 | C05 | 178.5° | 180.0° |
| C31 | C03 | C04 | H041 | 1.5° | 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 | 177.2° | 180.0° |
| C04 | C05 | SI07 | C08 | 28.8° | 90.0° |
| C04 | C05 | SI07 | C14 | 88.2° | 30.0° |
| C04 | C05 | SI07 | C15 | 150.4° | 150.0° |
| C04 | C05 | C06 | H061 | 177.8° | 179.9° |
| C06 | C05 | SI07 | C08 | 153.9° | 90.0° |
| C06 | C05 | SI07 | C14 | 89.1° | 149.9° |
| C06 | C05 | SI07 | C15 | 32.3° | 30.0° |
| C05 | C06 | C01 | H011 | 178.3° | 179.6° |
| C06 | C05 | C04 | H041 | 177.7° | 179.9° |
| C05 | SI07 | C08 | C14 | 116.7° | 120.0° |
| C05 | SI07 | C08 | C15 | 121.7° | 120.0° |
| C05 | SI07 | C14 | C15 | 119.0° | 120.0° |
| C05 | SI07 | C08 | C09 | 79.3° | 90.0° |
| C05 | SI07 | C08 | C13 | 102.5° | 90.5° |
| C05 | SI07 | C15 | H151 | 180.0° | 60.0° |
| C05 | SI07 | C15 | H152 | 60.0° | 180.0° |
| C05 | SI07 | C15 | H153 | 60.0° | 60.1° |
| SI07 | C05 | C04 | H041 | 0.4° | 0.0° |
| SI07 | C05 | C06 | H061 | 0.5° | 0.1° |
| C05 | SI07 | C14 | H141 | 180.0° | 60.1° |
| C05 | SI07 | C14 | H143 | 60.0° | 180.0° |
| C05 | SI07 | C14 | H142 | 60.0° | 60.0° |
| C08 | SI07 | C14 | C15 | 119.0° | 120.0° |
| SI07 | C08 | C09 | C13 | 178.3° | 179.6° |
| SI07 | C08 | C09 | C10 | 179.3° | 180.0° |
| SI07 | C08 | C13 | C12 | 179.8° | 179.7° |
| SI07 | C08 | C13 | H131 | 0.2° | 0.4° |
| C08 | SI07 | C15 | H151 | 55.2° | 180.0° |
| C08 | SI07 | C15 | H152 | 175.2° | 60.0° |
| C08 | SI07 | C15 | H153 | 64.8° | 60.0° |
| SI07 | C08 | C09 | H091 | 0.7° | 0.0° |
| C08 | SI07 | C14 | H141 | 58.1° | 60.0° |
| C08 | SI07 | C14 | H143 | 61.9° | 60.0° |
| C08 | SI07 | C14 | H142 | 178.1° | 179.9° |
| C14 | SI07 | C08 | C09 | 37.4° | 150.0° |
| C14 | SI07 | C08 | C13 | 140.8° | 29.5° |
| C14 | SI07 | C15 | H151 | 62.6° | 60.0° |
| C14 | SI07 | C15 | H152 | 57.4° | 60.0° |
| C14 | SI07 | C15 | H153 | 177.4° | 180.0° |
| SI07 | C14 | H141 | H143 | 120.0° | 120.0° |
| SI07 | C14 | H141 | H142 | 120.0° | 120.1° |
| SI07 | C14 | H143 | H142 | 120.0° | 120.0° |
| C15 | SI07 | C08 | C09 | 159.0° | 30.0° |
| C15 | SI07 | C08 | C13 | 19.2° | 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 | 61.0° | 180.0° |
| C15 | SI07 | C14 | H143 | 179.1° | 60.0° |
| C15 | SI07 | C14 | H142 | 59.0° | 59.9° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C08 | C09 | C10 | C32 | 179.1° | 179.7° |
| C09 | C08 | C13 | C12 | 1.7° | 0.7° |
| C09 | C08 | C13 | H131 | 178.3° | 180.0° |
| C13 | C08 | C09 | C10 | 1.1° | 0.5° |
| C08 | C13 | C12 | C11 | 1.5° | 0.5° |
| C08 | C13 | C12 | H131 | 180.0° | 179.3° |
| C13 | C08 | C09 | H091 | 179.0° | 179.5° |
| C08 | C13 | C12 | H121 | 178.5° | 179.6° |
| C09 | C10 | C11 | C32 | 179.2° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | O16 | 179.8° | 179.7° |
| C09 | C10 | C32 | H322 | 90.3° | 89.7° |
| C09 | C10 | C32 | H321 | 149.7° | 30.3° |
| C09 | C10 | C32 | H323 | 29.6° | 150.3° |
| C10 | C11 | C12 | O16 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | O16 | C23 | 179.4° | 180.0° |
| C11 | C10 | C09 | H091 | 179.8° | 180.0° |
| C10 | C11 | C12 | H121 | 179.4° | 180.0° |
| C11 | C10 | C32 | H322 | 90.4° | 90.0° |
| C11 | C10 | C32 | H321 | 29.6° | 150.0° |
| C11 | C10 | C32 | H323 | 149.6° | 30.0° |
| C32 | C10 | C11 | C12 | 179.3° | 180.0° |
| C32 | C10 | C11 | O16 | 1.0° | 0.0° |
| C32 | C10 | C09 | H091 | 0.9° | 0.3° |
| 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 | 1.0° | 0.0° |
| C11 | C12 | C13 | H131 | 178.5° | 179.8° |
| O16 | C11 | C12 | C13 | 179.1° | 180.0° |
| C11 | O16 | C23 | C24 | 178.7° | 180.0° |
| O16 | C11 | C12 | H121 | 0.9° | 0.1° |
| C11 | O16 | C23 | H231 | 58.5° | 60.0° |
| C11 | O16 | C23 | H232 | 61.0° | 60.0° |
| O16 | C23 | C24 | H231 | 120.2° | 120.0° |
| O16 | C23 | C24 | H232 | 120.2° | 120.0° |
| O16 | C23 | C24 | C25 | 64.9° | 55.9° |
| O16 | C23 | C24 | C26 | 176.9° | 175.9° |
| O16 | C23 | C24 | O29 | 54.8° | 64.1° |
| O16 | C23 | H231 | H232 | 119.4° | 120.0° |
| O17 | C18 | C19 | H181 | 119.2° | 120.0° |
| O17 | C18 | C19 | H182 | 119.2° | 119.9° |
| O17 | C18 | C19 | C20 | 131.3° | 175.0° |
| O17 | C18 | C19 | O34 | 113.2° | 65.0° |
| O17 | C18 | H181 | H182 | 122.4° | 120.0° |
| O17 | C18 | C19 | H191 | 6.3° | 55.0° |
| C18 | C19 | C20 | O34 | 108.1° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.0° |
| C18 | C19 | O34 | H191 | 117.9° | 120.0° |
| C18 | C19 | C20 | C21 | 169.3° | 175.0° |
| C18 | C19 | C20 | H201 | 70.9° | 55.0° |
| C18 | C19 | C20 | H202 | 49.4° | 65.0° |
| C19 | C18 | H181 | H182 | 122.4° | 120.0° |
| C18 | C19 | O34 | H341 | 180.0° | 60.0° |
| C20 | C19 | O34 | H191 | 125.1° | 120.0° |
| C19 | C20 | C21 | H201 | 119.8° | 120.0° |
| C19 | C20 | C21 | H202 | 119.8° | 120.0° |
| C19 | C20 | C21 | C22 | 161.1° | 180.0° |
| C19 | C20 | H201 | H202 | 120.6° | 119.9° |
| C19 | C20 | C21 | H212 | 78.3° | 60.0° |
| C19 | C20 | C21 | H211 | 40.5° | 60.0° |
| C20 | C19 | C18 | H181 | 109.5° | 55.0° |
| C20 | C19 | C18 | H182 | 12.2° | 65.0° |
| C20 | C19 | O34 | H341 | 63.0° | 60.0° |
| O34 | C19 | C20 | C21 | 82.7° | 65.0° |
| O34 | C19 | C20 | H201 | 37.1° | 175.0° |
| O34 | C19 | C20 | H202 | 157.5° | 55.0° |
| O34 | C19 | C18 | H181 | 6.0° | 175.0° |
| O34 | C19 | C18 | H182 | 127.6° | 55.0° |
| C20 | C21 | C22 | H212 | 120.6° | 120.0° |
| C20 | C21 | C22 | H211 | 120.6° | 120.0° |
| C20 | C21 | C22 | O30 | 165.0° | 0.0° |
| C20 | C21 | C22 | O33 | 14.5° | 180.0° |
| C21 | C20 | H201 | H202 | 120.7° | 120.1° |
| C20 | C21 | H212 | H211 | 118.2° | 120.0° |
| C21 | C20 | C19 | H191 | 43.9° | 55.0° |
| C21 | C22 | O30 | O33 | 179.5° | 180.0° |
| C22 | C21 | C20 | H201 | 41.3° | 60.0° |
| C22 | C21 | C20 | H202 | 79.1° | 60.0° |
| C22 | C21 | H212 | H211 | 118.3° | 120.0° |
| C21 | C22 | O33 | H1 | 179.6° | 180.0° |
| O30 | C22 | C21 | H212 | 44.5° | 120.0° |
| O30 | C22 | C21 | H211 | 74.4° | 120.0° |
| O30 | C22 | O33 | H1 | 0.0° | 0.0° |
| O33 | C22 | C21 | H212 | 135.1° | 60.0° |
| O33 | C22 | C21 | H211 | 106.0° | 60.0° |
| C23 | C24 | C25 | C26 | 118.5° | 120.0° |
| C23 | C24 | C25 | O29 | 120.6° | 120.0° |
| C23 | C24 | C26 | O29 | 121.2° | 120.0° |
| C23 | C24 | C25 | C27 | 57.1° | 63.2° |
| C23 | C24 | C26 | C28 | 176.9° | 175.0° |
| C23 | C24 | C26 | H261 | 56.7° | 55.0° |
| C23 | C24 | C26 | H262 | 62.9° | 65.0° |
| C24 | C23 | H231 | H232 | 119.4° | 120.0° |
| C23 | C24 | C25 | H252 | 63.2° | 176.8° |
| C23 | C24 | C25 | H251 | 177.4° | 56.8° |
| C23 | C24 | O29 | H291 | 180.0° | 60.0° |
| C25 | C24 | C26 | O29 | 119.2° | 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 | 176.3° | 65.0° |
| C25 | C24 | C26 | H262 | 56.7° | 175.0° |
| C25 | C24 | C23 | H231 | 174.9° | 175.9° |
| C25 | C24 | C23 | H232 | 55.3° | 64.1° |
| C24 | C25 | H252 | H251 | 119.0° | 120.0° |
| C24 | C25 | C27 | H273 | 180.0° | 61.9° |
| C24 | C25 | C27 | H271 | 60.0° | 178.1° |
| C24 | C25 | C27 | H272 | 60.0° | 58.2° |
| C25 | C24 | O29 | H291 | 59.2° | 180.0° |
| C26 | C24 | C25 | C27 | 61.4° | 56.8° |
| C24 | C26 | C28 | H261 | 120.2° | 120.0° |
| C24 | C26 | C28 | H262 | 120.2° | 120.0° |
| C24 | C26 | H261 | H262 | 119.4° | 120.0° |
| C24 | C26 | C28 | H281 | 180.0° | 60.0° |
| C24 | C26 | C28 | H282 | 60.0° | 180.0° |
| C24 | C26 | C28 | H283 | 60.0° | 60.0° |
| C26 | C24 | C23 | H231 | 56.7° | 64.1° |
| C26 | C24 | C23 | H232 | 62.9° | 55.9° |
| C26 | C24 | C25 | H252 | 178.3° | 63.2° |
| C26 | C24 | C25 | H251 | 58.9° | 176.8° |
| C26 | C24 | O29 | H291 | 59.7° | 60.0° |
| O29 | C24 | C25 | C27 | 177.7° | 176.8° |
| O29 | C24 | C26 | C28 | 55.7° | 65.0° |
| O29 | C24 | C26 | H261 | 64.5° | 175.0° |
| O29 | C24 | C26 | H262 | 175.9° | 55.0° |
| O29 | C24 | C23 | H231 | 65.4° | 55.9° |
| O29 | C24 | C23 | H232 | 175.0° | 175.9° |
| O29 | C24 | C25 | H252 | 57.3° | 56.8° |
| O29 | C24 | C25 | H251 | 62.0° | 63.2° |
| C27 | C25 | H252 | H251 | 119.1° | 120.1° |
| C25 | C27 | H273 | H271 | 120.0° | 119.9° |
| C25 | C27 | H273 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H272 | 120.0° | 119.9° |
| C28 | C26 | H261 | H262 | 119.4° | 120.0° |
| C26 | C28 | H281 | H282 | 120.0° | 120.0° |
| C26 | C28 | H281 | H283 | 120.0° | 120.0° |
| C26 | C28 | H282 | H283 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 1.5° | 0.2° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
| H201 | C20 | C21 | H212 | 161.9° | 59.9° |
| H201 | C20 | C21 | H211 | 79.3° | 180.0° |
| H201 | C20 | C19 | H191 | 163.7° | 65.0° |
| H202 | C20 | C21 | H212 | 41.5° | 180.0° |
| H202 | C20 | C21 | H211 | 160.3° | 59.9° |
| H202 | C20 | C19 | H191 | 75.9° | 175.0° |
| H261 | C26 | C28 | H281 | 59.8° | 60.0° |
| H261 | C26 | C28 | H282 | 179.8° | 60.0° |
| H261 | C26 | C28 | H283 | 60.2° | 180.0° |
| H262 | C26 | C28 | H281 | 59.8° | 180.0° |
| H262 | C26 | C28 | H282 | 60.2° | 60.0° |
| H262 | C26 | C28 | H283 | 179.8° | 60.0° |
| H281 | C28 | H282 | H283 | 120.0° | 119.9° |
| H011 | C01 | C06 | H061 | 1.7° | 0.3° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 125.5° | 65.0° |
| H182 | C18 | C19 | H191 | 112.9° | 175.0° |
| H191 | C19 | O34 | H341 | 62.1° | 180.0° |
| H252 | C25 | C27 | H273 | 59.7° | 58.1° |
| H252 | C25 | C27 | H271 | 179.7° | 61.9° |
| H252 | C25 | C27 | H272 | 60.3° | 178.1° |
| H251 | C25 | C27 | H273 | 59.7° | 178.2° |
| H251 | C25 | C27 | H271 | 60.3° | 58.1° |
| H251 | C25 | C27 | H272 | 179.7° | 61.8° |
| H273 | C27 | H271 | H272 | 120.0° | 120.1° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H322 | C32 | H321 | H323 | 119.9° | 120.0° |
