A1L7X
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 | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.35Å | Aromatic |
| C02 | O17 | sing | 1.36Å | 1.37Å | |
| C03 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | C33 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.38Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | SI07 | sing | 1.87Å | 1.87Å | |
| SI07 | C08 | sing | 1.87Å | 1.89Å | |
| SI07 | C14 | sing | 1.86Å | 1.88Å | |
| SI07 | C15 | sing | 1.86Å | 1.87Å | |
| C08 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C10 | C37 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| O16 | C23 | sing | 1.43Å | 1.36Å | |
| O17 | C18 | sing | 1.43Å | 1.36Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | O32 | sing | 1.43Å | 1.38Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | O30 | doub | 1.21Å | 1.22Å | |
| C22 | O31 | sing | 1.34Å | 1.24Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C26 | sing | 1.53Å | 1.50Å | |
| C24 | O29 | sing | 1.43Å | 1.37Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C33 | F34 | sing | 1.40Å | 1.31Å | |
| C33 | F35 | sing | 1.40Å | 1.32Å | |
| C33 | F36 | sing | 1.40Å | 1.31Å | |
| C37 | F38 | sing | 1.40Å | 1.31Å | |
| C37 | F39 | sing | 1.40Å | 1.32Å | |
| C37 | F40 | sing | 1.40Å | 1.31Å | |
| 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 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | 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 | 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 | |
| O29 | H291 | sing | 0.97Å | 0.95Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.7° | 119.9° |
| C01 | C02 | C03 | 119.3° | 119.9° |
| C01 | C02 | O17 | 124.1° | 120.0° |
| C02 | C01 | H011 | 120.2° | 120.1° |
| C01 | C06 | C05 | 120.5° | 120.0° |
| C06 | C01 | H011 | 120.2° | 120.0° |
| C01 | C06 | H061 | 119.7° | 120.0° |
| C03 | C02 | O17 | 116.6° | 120.1° |
| C02 | C03 | C04 | 120.7° | 120.0° |
| C02 | C03 | C33 | 119.8° | 120.0° |
| C02 | O17 | C18 | 120.7° | 117.0° |
| C04 | C03 | C33 | 119.5° | 120.0° |
| C03 | C04 | C05 | 121.4° | 120.0° |
| C03 | C04 | H041 | 119.3° | 120.0° |
| C03 | C33 | F34 | 110.7° | 109.5° |
| C03 | C33 | F35 | 113.0° | 109.5° |
| C03 | C33 | F36 | 110.0° | 109.4° |
| C04 | C05 | C06 | 118.5° | 120.2° |
| C04 | C05 | SI07 | 119.2° | 119.9° |
| C05 | C04 | H041 | 119.3° | 120.0° |
| C06 | C05 | SI07 | 122.3° | 119.9° |
| C05 | C06 | H061 | 119.7° | 120.0° |
| C05 | SI07 | C08 | 114.3° | 109.5° |
| C05 | SI07 | C14 | 106.0° | 109.5° |
| C05 | SI07 | C15 | 108.5° | 109.5° |
| C08 | SI07 | C14 | 107.9° | 109.4° |
| C08 | SI07 | C15 | 111.5° | 109.5° |
| SI07 | C08 | C09 | 121.4° | 119.9° |
| SI07 | C08 | C13 | 121.1° | 119.9° |
| C14 | SI07 | C15 | 108.4° | 109.5° |
| SI07 | C14 | H141 | 109.5° | 109.5° |
| SI07 | C14 | H143 | 109.5° | 109.5° |
| SI07 | C14 | H142 | 109.5° | 109.4° |
| SI07 | C15 | H151 | 109.5° | 109.5° |
| SI07 | C15 | H152 | 109.5° | 109.5° |
| SI07 | C15 | H153 | 109.4° | 109.5° |
| C09 | C08 | C13 | 117.5° | 120.1° |
| C08 | C09 | C10 | 121.4° | 120.0° |
| C08 | C09 | H091 | 119.3° | 120.0° |
| C08 | C13 | C12 | 121.1° | 120.0° |
| C08 | C13 | H131 | 119.4° | 120.0° |
| C09 | C10 | C11 | 120.4° | 119.9° |
| C09 | C10 | C37 | 120.2° | 120.0° |
| C10 | C09 | H091 | 119.3° | 120.0° |
| C11 | C10 | C37 | 119.3° | 120.0° |
| C10 | C11 | C12 | 119.3° | 119.9° |
| C10 | C11 | O16 | 117.8° | 120.1° |
| C10 | C37 | F38 | 109.9° | 109.5° |
| C10 | C37 | F39 | 113.3° | 109.5° |
| C10 | C37 | F40 | 107.5° | 109.5° |
| C12 | C11 | O16 | 122.9° | 120.0° |
| C11 | C12 | C13 | 120.3° | 119.9° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C11 | O16 | C23 | 115.6° | 117.0° |
| C12 | C13 | H131 | 119.4° | 120.0° |
| C13 | C12 | H121 | 119.8° | 120.0° |
| O16 | C23 | C24 | 108.7° | 109.5° |
| O16 | C23 | H231 | 109.7° | 109.4° |
| O16 | C23 | H232 | 109.7° | 109.5° |
| O17 | C18 | C19 | 106.8° | 109.4° |
| O17 | C18 | H182 | 110.1° | 109.5° |
| O17 | C18 | H181 | 110.2° | 109.5° |
| C18 | C19 | C20 | 110.5° | 109.5° |
| C18 | C19 | O32 | 109.1° | 109.5° |
| C19 | C18 | H182 | 110.2° | 109.4° |
| C19 | C18 | H181 | 110.1° | 109.4° |
| C18 | C19 | H191 | 108.9° | 109.5° |
| C20 | C19 | O32 | 108.5° | 109.4° |
| C19 | C20 | C21 | 112.3° | 109.5° |
| C19 | C20 | H202 | 108.7° | 109.5° |
| C19 | C20 | H201 | 108.8° | 109.5° |
| C20 | C19 | H191 | 108.9° | 109.5° |
| O32 | C19 | H191 | 110.9° | 109.5° |
| C19 | O32 | H321 | 109.5° | 114.0° |
| C20 | C21 | C22 | 109.7° | 109.5° |
| C21 | C20 | H202 | 108.8° | 109.4° |
| C21 | C20 | H201 | 108.8° | 109.4° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C21 | C22 | O30 | 118.1° | 120.0° |
| C21 | C22 | O31 | 120.9° | 120.0° |
| C22 | C21 | H212 | 109.4° | 109.5° |
| C22 | C21 | H211 | 109.4° | 109.5° |
| O30 | C22 | O31 | 121.0° | 120.0° |
| C22 | O31 | H1 | 109.5° | 117.0° |
| C23 | C24 | C25 | 106.4° | 109.5° |
| C23 | C24 | C26 | 111.4° | 109.5° |
| C23 | C24 | O29 | 110.6° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.5° |
| C24 | C23 | H232 | 109.7° | 109.5° |
| C25 | C24 | C26 | 109.3° | 109.5° |
| C25 | C24 | O29 | 111.2° | 109.5° |
| C24 | C25 | C27 | 109.3° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C26 | C24 | O29 | 108.0° | 109.5° |
| C24 | C26 | C28 | 108.2° | 109.5° |
| C24 | C26 | H261 | 109.8° | 109.5° |
| C24 | C26 | H262 | 109.8° | 109.5° |
| C24 | O29 | H291 | 109.5° | 114.0° |
| C27 | C25 | H251 | 109.5° | 109.5° |
| C27 | C25 | H252 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.4° |
| C28 | C26 | H261 | 109.8° | 109.5° |
| C28 | C26 | H262 | 109.8° | 109.5° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| F34 | C33 | F35 | 107.2° | 109.5° |
| F34 | C33 | F36 | 107.2° | 109.5° |
| F35 | C33 | F36 | 108.6° | 109.5° |
| F38 | C37 | F39 | 107.9° | 109.4° |
| F38 | C37 | F40 | 108.2° | 109.5° |
| F39 | C37 | F40 | 109.9° | 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° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 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° | 179.8° |
| C01 | C02 | C03 | O17 | 179.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C01 | C02 | C03 | C33 | 179.3° | 180.0° |
| C02 | C01 | C06 | C05 | 1.8° | 0.0° |
| C01 | C02 | O17 | C18 | 12.1° | 0.0° |
| C02 | C01 | C06 | H061 | 178.2° | 180.0° |
| C06 | C01 | C02 | C03 | 1.4° | 0.1° |
| C06 | C01 | C02 | O17 | 179.6° | 180.0° |
| C01 | C06 | C05 | C04 | 1.3° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI07 | 178.8° | 180.0° |
| C02 | C03 | C04 | C33 | 179.9° | 179.9° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | O17 | C18 | 168.9° | 180.0° |
| C02 | C03 | C33 | F34 | 73.5° | 179.9° |
| C02 | C03 | C33 | F35 | 46.7° | 59.9° |
| C02 | C03 | C33 | F36 | 168.2° | 60.0° |
| C03 | C02 | C01 | H011 | 178.5° | 179.7° |
| C02 | C03 | C04 | H041 | 179.8° | 179.9° |
| O17 | C02 | C03 | C04 | 179.7° | 180.0° |
| O17 | C02 | C03 | C33 | 0.3° | 0.1° |
| C02 | O17 | C18 | C19 | 165.5° | 180.0° |
| O17 | C02 | C01 | H011 | 0.4° | 0.2° |
| C02 | O17 | C18 | H182 | 74.9° | 60.0° |
| C02 | O17 | C18 | H181 | 45.9° | 60.1° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | SI07 | 179.6° | 180.0° |
| C04 | C03 | C33 | F34 | 106.5° | 0.0° |
| C04 | C03 | C33 | F35 | 133.3° | 120.0° |
| C04 | C03 | C33 | F36 | 11.7° | 120.0° |
| C33 | C03 | C04 | C05 | 179.8° | 179.9° |
| C03 | C33 | F34 | F35 | 123.6° | 120.0° |
| C03 | C33 | F34 | F36 | 119.9° | 120.0° |
| C03 | C33 | F35 | F36 | 122.3° | 119.9° |
| C33 | C03 | C04 | H041 | 0.2° | 0.0° |
| C04 | C05 | C06 | SI07 | 179.9° | 180.0° |
| C04 | C05 | SI07 | C08 | 12.6° | 90.0° |
| C04 | C05 | SI07 | C14 | 131.3° | 30.0° |
| C04 | C05 | SI07 | C15 | 112.5° | 150.0° |
| C04 | C05 | C06 | H061 | 178.7° | 180.0° |
| C06 | C05 | SI07 | C08 | 167.5° | 90.0° |
| C06 | C05 | SI07 | C14 | 48.8° | 150.0° |
| C06 | C05 | SI07 | C15 | 67.4° | 30.0° |
| C05 | C06 | C01 | H011 | 178.2° | 179.8° |
| C06 | C05 | C04 | H041 | 179.5° | 179.9° |
| C05 | SI07 | C08 | C14 | 117.6° | 120.0° |
| C05 | SI07 | C08 | C15 | 123.5° | 120.0° |
| C05 | SI07 | C14 | C15 | 116.3° | 120.0° |
| C05 | SI07 | C08 | C09 | 69.1° | 90.0° |
| C05 | SI07 | C08 | C13 | 110.5° | 90.5° |
| C05 | SI07 | C15 | H151 | 180.0° | 60.0° |
| C05 | SI07 | C15 | H152 | 60.0° | 179.9° |
| C05 | SI07 | C15 | H153 | 60.0° | 60.0° |
| SI07 | C05 | C04 | H041 | 0.4° | 0.1° |
| SI07 | C05 | C06 | H061 | 1.2° | 0.0° |
| 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 | 120.9° | 120.0° |
| SI07 | C08 | C09 | C13 | 179.6° | 179.5° |
| SI07 | C08 | C09 | C10 | 179.1° | 180.0° |
| SI07 | C08 | C13 | C12 | 179.8° | 179.8° |
| SI07 | C08 | C13 | H131 | 0.2° | 0.5° |
| C08 | SI07 | C15 | H151 | 53.3° | 180.0° |
| C08 | SI07 | C15 | H152 | 66.7° | 60.0° |
| C08 | SI07 | C15 | H153 | 173.3° | 60.0° |
| SI07 | C08 | C09 | H091 | 0.9° | 0.0° |
| C08 | SI07 | C14 | H141 | 57.2° | 60.0° |
| C08 | SI07 | C14 | H143 | 177.2° | 60.0° |
| C08 | SI07 | C14 | H142 | 62.8° | 180.0° |
| C14 | SI07 | C08 | C09 | 173.3° | 150.0° |
| C14 | SI07 | C08 | C13 | 7.1° | 29.5° |
| C14 | SI07 | C15 | H151 | 65.3° | 60.0° |
| C14 | SI07 | C15 | H152 | 174.7° | 60.0° |
| C14 | SI07 | C15 | H153 | 54.7° | 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 | 54.4° | 30.0° |
| C15 | SI07 | C08 | C13 | 126.1° | 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 | 63.7° | 180.0° |
| C15 | SI07 | C14 | H143 | 56.3° | 60.0° |
| C15 | SI07 | C14 | H142 | 176.3° | 60.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 1.1° | 0.0° |
| C08 | C09 | C10 | C37 | 179.3° | 179.7° |
| C09 | C08 | C13 | C12 | 0.2° | 0.7° |
| C09 | C08 | C13 | H131 | 179.8° | 180.0° |
| C13 | C08 | C09 | C10 | 0.5° | 0.5° |
| C08 | C13 | C12 | C11 | 0.4° | 0.4° |
| C08 | C13 | C12 | H131 | 180.0° | 179.3° |
| C13 | C08 | C09 | H091 | 179.5° | 179.5° |
| C08 | C13 | C12 | H121 | 179.6° | 179.5° |
| C09 | C10 | C11 | C37 | 178.3° | 179.7° |
| C09 | C10 | C11 | C12 | 0.9° | 0.2° |
| C09 | C10 | C11 | O16 | 179.5° | 179.7° |
| C09 | C10 | C37 | F38 | 8.1° | 0.3° |
| C09 | C10 | C37 | F39 | 128.9° | 120.3° |
| C09 | C10 | C37 | F40 | 109.4° | 119.8° |
| C10 | C11 | C12 | O16 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | O16 | C23 | 171.6° | 180.0° |
| C11 | C10 | C37 | F38 | 173.6° | 180.0° |
| C11 | C10 | C37 | F39 | 52.8° | 60.0° |
| C11 | C10 | C37 | F40 | 68.9° | 60.0° |
| C11 | C10 | C09 | H091 | 178.9° | 180.0° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C37 | C10 | C11 | C12 | 179.2° | 180.0° |
| C37 | C10 | C11 | O16 | 1.2° | 0.0° |
| C10 | C37 | F38 | F39 | 124.0° | 120.0° |
| C10 | C37 | F38 | F40 | 117.1° | 120.1° |
| C10 | C37 | F39 | F40 | 120.3° | 120.0° |
| C37 | C10 | C09 | H091 | 0.7° | 0.3° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | O16 | C23 | 8.8° | 0.0° |
| C11 | C12 | C13 | H131 | 179.7° | 179.7° |
| O16 | C11 | C12 | C13 | 179.8° | 180.0° |
| C11 | O16 | C23 | C24 | 178.7° | 180.0° |
| O16 | C11 | C12 | H121 | 0.2° | 0.0° |
| C11 | O16 | C23 | H231 | 61.4° | 60.0° |
| C11 | O16 | C23 | H232 | 58.8° | 60.0° |
| O16 | C23 | C24 | H231 | 119.9° | 120.0° |
| O16 | C23 | C24 | H232 | 119.9° | 120.0° |
| O16 | C23 | C24 | C25 | 178.7° | 55.9° |
| O16 | C23 | C24 | C26 | 62.3° | 175.9° |
| O16 | C23 | C24 | O29 | 57.8° | 64.1° |
| O16 | C23 | H231 | H232 | 120.4° | 120.0° |
| O17 | C18 | C19 | H182 | 119.6° | 120.1° |
| O17 | C18 | C19 | H181 | 119.6° | 120.0° |
| O17 | C18 | C19 | C20 | 48.7° | 175.0° |
| O17 | C18 | C19 | O32 | 70.6° | 65.0° |
| O17 | C18 | H182 | H181 | 121.2° | 120.1° |
| O17 | C18 | C19 | H191 | 168.2° | 55.0° |
| C18 | C19 | C20 | O32 | 119.6° | 120.0° |
| C18 | C19 | C20 | H191 | 119.6° | 120.1° |
| C18 | C19 | O32 | H191 | 119.9° | 120.1° |
| C18 | C19 | C20 | C21 | 167.2° | 175.0° |
| C18 | C19 | C20 | H202 | 72.3° | 55.1° |
| C18 | C19 | C20 | H201 | 46.8° | 65.0° |
| C19 | C18 | H182 | H181 | 121.2° | 119.9° |
| C18 | C19 | O32 | H321 | 180.0° | 59.9° |
| C20 | C19 | O32 | H191 | 119.6° | 120.0° |
| C19 | C20 | C21 | H202 | 120.4° | 120.0° |
| C19 | C20 | C21 | H201 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 103.9° | 180.0° |
| C19 | C20 | H202 | H201 | 118.7° | 120.1° |
| C19 | C20 | C21 | H212 | 136.1° | 60.0° |
| C19 | C20 | C21 | H211 | 16.2° | 60.0° |
| C20 | C19 | C18 | H182 | 70.9° | 55.0° |
| C20 | C19 | C18 | H181 | 168.3° | 65.0° |
| C20 | C19 | O32 | H321 | 59.5° | 60.0° |
| O32 | C19 | C20 | C21 | 73.2° | 65.0° |
| O32 | C19 | C20 | H202 | 47.3° | 175.0° |
| O32 | C19 | C20 | H201 | 166.4° | 55.0° |
| O32 | C19 | C18 | H182 | 169.8° | 174.9° |
| O32 | C19 | C18 | H181 | 49.0° | 55.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | O30 | 10.2° | 0.0° |
| C20 | C21 | C22 | O31 | 169.8° | 180.0° |
| C21 | C20 | H202 | H201 | 118.7° | 120.0° |
| C20 | C21 | H212 | H211 | 119.9° | 120.0° |
| C21 | C20 | C19 | H191 | 47.7° | 55.0° |
| C21 | C22 | O30 | O31 | 179.9° | 180.0° |
| C22 | C21 | C20 | H202 | 16.6° | 60.0° |
| C22 | C21 | C20 | H201 | 135.7° | 60.0° |
| C22 | C21 | H212 | H211 | 119.9° | 120.0° |
| C21 | C22 | O31 | H1 | 179.9° | 180.0° |
| O30 | C22 | C21 | H212 | 130.2° | 120.0° |
| O30 | C22 | C21 | H211 | 109.9° | 120.0° |
| O30 | C22 | O31 | H1 | 0.0° | 0.0° |
| O31 | C22 | C21 | H212 | 49.7° | 60.0° |
| O31 | C22 | C21 | H211 | 70.2° | 60.0° |
| C23 | C24 | C25 | C26 | 120.3° | 120.0° |
| C23 | C24 | C25 | O29 | 120.5° | 120.0° |
| C23 | C24 | C26 | O29 | 121.6° | 120.0° |
| C23 | C24 | C25 | C27 | 179.9° | 63.1° |
| C23 | C24 | C26 | C28 | 55.7° | 175.0° |
| C23 | C24 | C26 | H261 | 64.1° | 55.0° |
| C23 | C24 | C26 | H262 | 175.5° | 65.0° |
| C24 | C23 | H231 | H232 | 120.4° | 120.0° |
| C23 | C24 | C25 | H251 | 60.1° | 176.8° |
| C23 | C24 | C25 | H252 | 60.0° | 56.8° |
| C23 | C24 | O29 | H291 | 180.0° | 60.0° |
| C25 | C24 | C26 | O29 | 121.1° | 120.0° |
| C24 | C25 | C27 | H251 | 120.0° | 120.1° |
| C24 | C25 | C27 | H252 | 120.0° | 119.9° |
| C25 | C24 | C26 | C28 | 61.5° | 55.0° |
| C25 | C24 | C26 | H261 | 178.7° | 65.0° |
| C25 | C24 | C26 | H262 | 58.3° | 175.0° |
| C25 | C24 | C23 | H231 | 58.8° | 175.9° |
| C25 | C24 | C23 | H232 | 61.5° | 64.1° |
| C24 | C25 | H251 | H252 | 120.0° | 119.9° |
| C24 | C25 | C27 | H271 | 180.0° | 178.1° |
| C24 | C25 | C27 | H272 | 60.0° | 58.1° |
| C24 | C25 | C27 | H273 | 60.0° | 61.9° |
| C25 | C24 | O29 | H291 | 62.0° | 180.0° |
| C26 | C24 | C25 | C27 | 59.6° | 56.9° |
| C24 | C26 | C28 | H261 | 119.8° | 120.0° |
| C24 | C26 | C28 | H262 | 119.8° | 120.0° |
| C24 | C26 | H261 | H262 | 120.6° | 120.0° |
| C24 | C26 | C28 | H282 | 180.0° | 180.0° |
| C24 | C26 | C28 | H281 | 60.0° | 60.0° |
| C24 | C26 | C28 | H283 | 60.0° | 60.0° |
| C26 | C24 | C23 | H231 | 177.8° | 64.1° |
| C26 | C24 | C23 | H232 | 57.6° | 55.9° |
| C26 | C24 | C25 | H251 | 179.6° | 63.2° |
| C26 | C24 | C25 | H252 | 60.4° | 176.8° |
| C26 | C24 | O29 | H291 | 57.9° | 60.1° |
| O29 | C24 | C25 | C27 | 59.6° | 176.9° |
| O29 | C24 | C26 | C28 | 177.3° | 65.0° |
| O29 | C24 | C26 | H261 | 57.5° | 175.0° |
| O29 | C24 | C26 | H262 | 62.8° | 55.0° |
| O29 | C24 | C23 | H231 | 62.1° | 55.9° |
| O29 | C24 | C23 | H232 | 177.7° | 175.9° |
| O29 | C24 | C25 | H251 | 60.4° | 56.8° |
| O29 | C24 | C25 | H252 | 179.6° | 63.2° |
| C27 | C25 | H251 | H252 | 120.1° | 120.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 119.9° |
| C25 | C27 | H272 | H273 | 120.0° | 119.9° |
| C28 | C26 | H261 | H262 | 120.6° | 120.0° |
| C26 | C28 | H282 | H281 | 120.0° | 120.0° |
| C26 | C28 | H282 | H283 | 120.0° | 120.0° |
| C26 | C28 | H281 | H283 | 120.0° | 120.0° |
| F34 | C33 | F35 | F36 | 115.5° | 120.0° |
| F38 | C37 | F39 | F40 | 117.7° | 120.0° |
| H131 | C13 | C12 | H121 | 0.3° | 0.2° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H202 | C20 | C21 | H212 | 103.5° | 60.0° |
| H202 | C20 | C21 | H211 | 136.6° | 180.0° |
| H202 | C20 | C19 | H191 | 168.1° | 65.0° |
| H201 | C20 | C21 | H212 | 15.7° | 180.0° |
| H201 | C20 | C21 | H211 | 104.3° | 60.0° |
| H201 | C20 | C19 | H191 | 72.8° | 174.9° |
| H261 | C26 | C28 | H282 | 60.2° | 60.0° |
| H261 | C26 | C28 | H281 | 179.8° | 179.9° |
| H261 | C26 | C28 | H283 | 59.8° | 60.0° |
| H262 | C26 | C28 | H282 | 60.2° | 60.0° |
| H262 | C26 | C28 | H281 | 59.8° | 60.0° |
| H262 | C26 | C28 | H283 | 179.8° | 180.0° |
| H282 | C28 | H281 | H283 | 120.0° | 120.0° |
| H011 | C01 | C06 | H061 | 1.8° | 0.2° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H182 | C18 | C19 | H191 | 48.7° | 65.0° |
| H181 | C18 | C19 | H191 | 72.2° | 175.0° |
| H191 | C19 | O32 | H321 | 60.1° | 180.0° |
| H251 | C25 | C27 | H271 | 60.0° | 61.8° |
| H251 | C25 | C27 | H272 | 180.0° | 178.2° |
| H251 | C25 | C27 | H273 | 59.9° | 58.2° |
| H252 | C25 | C27 | H271 | 60.1° | 58.2° |
| H252 | C25 | C27 | H272 | 60.0° | 61.8° |
| H252 | C25 | C27 | H273 | 180.0° | 178.2° |
| H271 | C27 | H272 | H273 | 120.0° | 120.1° |
