A1L70
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 | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O07 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | SI08 | sing | 1.87Å | 1.88Å | |
| O07 | C25 | sing | 1.43Å | 1.40Å | |
| SI08 | C09 | sing | 1.87Å | 1.89Å | |
| SI08 | C10 | sing | 1.86Å | 1.89Å | |
| SI08 | C11 | sing | 1.86Å | 1.89Å | |
| C09 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.40Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | O24 | sing | 1.43Å | 1.40Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | O27 | sing | 1.43Å | 1.39Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | O31 | doub | 1.21Å | 1.26Å | |
| C30 | O32 | sing | 1.34Å | 1.26Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | 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 | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O32 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.3° | 119.9° |
| C01 | C02 | C03 | 119.9° | 119.9° |
| C01 | C02 | O07 | 121.5° | 120.0° |
| C02 | C01 | H011 | 120.3° | 120.0° |
| C01 | C06 | C05 | 120.4° | 120.1° |
| C06 | C01 | H011 | 120.3° | 120.0° |
| C01 | C06 | H061 | 119.8° | 120.0° |
| C03 | C02 | O07 | 118.6° | 120.1° |
| C02 | C03 | C04 | 121.2° | 120.0° |
| C02 | C03 | H031 | 119.4° | 120.0° |
| C02 | O07 | C25 | 116.6° | 117.0° |
| C03 | C04 | C05 | 118.7° | 120.0° |
| C04 | C03 | H031 | 119.4° | 120.0° |
| C03 | C04 | H041 | 120.6° | 120.0° |
| C04 | C05 | C06 | 120.5° | 120.1° |
| C04 | C05 | SI08 | 119.8° | 119.9° |
| C05 | C04 | H041 | 120.7° | 120.0° |
| C06 | C05 | SI08 | 119.7° | 120.0° |
| C05 | C06 | H061 | 119.8° | 119.9° |
| C05 | SI08 | C09 | 113.8° | 109.5° |
| C05 | SI08 | C10 | 110.4° | 109.5° |
| C05 | SI08 | C11 | 106.4° | 109.5° |
| O07 | C25 | C26 | 110.5° | 109.5° |
| O07 | C25 | H252 | 109.2° | 109.5° |
| O07 | C25 | H251 | 109.2° | 109.5° |
| C09 | SI08 | C10 | 108.3° | 109.5° |
| C09 | SI08 | C11 | 108.7° | 109.4° |
| SI08 | C09 | C12 | 120.6° | 119.9° |
| SI08 | C09 | C16 | 118.8° | 120.0° |
| C10 | SI08 | C11 | 109.2° | 109.5° |
| SI08 | C10 | H101 | 109.5° | 109.4° |
| SI08 | C10 | H103 | 109.5° | 109.5° |
| SI08 | C10 | H102 | 109.5° | 109.5° |
| SI08 | C11 | H111 | 109.5° | 109.4° |
| SI08 | C11 | H112 | 109.5° | 109.5° |
| SI08 | C11 | H113 | 109.5° | 109.4° |
| C12 | C09 | C16 | 120.6° | 120.1° |
| C09 | C12 | C13 | 119.4° | 120.1° |
| C09 | C12 | H121 | 120.3° | 120.0° |
| C09 | C16 | C15 | 120.0° | 120.1° |
| C09 | C16 | H161 | 120.0° | 119.9° |
| C12 | C13 | C14 | 119.9° | 119.9° |
| C12 | C13 | H131 | 120.0° | 120.1° |
| C13 | C12 | H121 | 120.3° | 119.9° |
| C13 | C14 | C15 | 120.2° | 119.9° |
| C13 | C14 | O17 | 122.6° | 120.1° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C15 | C14 | O17 | 117.2° | 120.0° |
| C14 | C15 | C16 | 119.9° | 119.9° |
| C14 | C15 | H151 | 120.0° | 120.1° |
| C14 | O17 | C18 | 117.3° | 117.0° |
| C16 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| O17 | C18 | C19 | 107.4° | 109.5° |
| O17 | C18 | H181 | 110.0° | 109.5° |
| O17 | C18 | H182 | 110.0° | 109.4° |
| C18 | C19 | C20 | 108.7° | 109.5° |
| C18 | C19 | C22 | 112.5° | 109.5° |
| C18 | C19 | O24 | 107.2° | 109.5° |
| C19 | C18 | H181 | 110.0° | 109.5° |
| C19 | C18 | H182 | 110.0° | 109.5° |
| C20 | C19 | C22 | 110.5° | 109.4° |
| C20 | C19 | O24 | 110.3° | 109.5° |
| C19 | C20 | C21 | 110.6° | 109.5° |
| C19 | C20 | H201 | 109.2° | 109.4° |
| C19 | C20 | H202 | 109.2° | 109.4° |
| C22 | C19 | O24 | 107.6° | 109.5° |
| C19 | C22 | C23 | 112.7° | 109.5° |
| C19 | C22 | H221 | 108.6° | 109.4° |
| C19 | C22 | H222 | 108.7° | 109.4° |
| C19 | O24 | H241 | 109.5° | 114.0° |
| C21 | C20 | H201 | 109.2° | 109.5° |
| C21 | C20 | H202 | 109.2° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.4° | 109.5° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C23 | C22 | H222 | 108.6° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C25 | C26 | O27 | 109.0° | 109.5° |
| C25 | C26 | C28 | 112.4° | 109.5° |
| C25 | C26 | H261 | 108.3° | 109.5° |
| C26 | C25 | H252 | 109.2° | 109.4° |
| C26 | C25 | H251 | 109.2° | 109.4° |
| O27 | C26 | C28 | 108.4° | 109.5° |
| O27 | C26 | H261 | 110.4° | 109.5° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C26 | C28 | C29 | 108.7° | 109.5° |
| C28 | C26 | H261 | 108.4° | 109.5° |
| C26 | C28 | H282 | 109.7° | 109.5° |
| C26 | C28 | H281 | 109.6° | 109.5° |
| C28 | C29 | C30 | 112.8° | 109.5° |
| C29 | C28 | H282 | 109.6° | 109.5° |
| C29 | C28 | H281 | 109.7° | 109.5° |
| C28 | C29 | H292 | 108.6° | 109.4° |
| C28 | C29 | H291 | 108.6° | 109.5° |
| C29 | C30 | O31 | 120.1° | 120.0° |
| C29 | C30 | O32 | 121.1° | 120.0° |
| C30 | C29 | H292 | 108.6° | 109.5° |
| C30 | C29 | H291 | 108.6° | 109.4° |
| O31 | C30 | O32 | 118.8° | 120.0° |
| C30 | O32 | H1 | 109.5° | 117.1° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H292 | C29 | H291 | 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° | 179.7° |
| C01 | C02 | C03 | O07 | 179.8° | 179.9° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C05 | 0.3° | 0.0° |
| C01 | C02 | O07 | C25 | 27.5° | 180.0° |
| C01 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C01 | C06 | H061 | 179.7° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C06 | C01 | C02 | O07 | 179.9° | 179.9° |
| C01 | C06 | C05 | C04 | 0.1° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | SI08 | 177.8° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | O07 | C25 | 152.2° | 0.1° |
| C03 | C02 | C01 | H011 | 179.7° | 179.7° |
| C02 | C03 | C04 | H041 | 179.4° | 180.0° |
| O07 | C02 | C03 | C04 | 179.6° | 180.0° |
| C02 | O07 | C25 | C26 | 146.3° | 180.0° |
| O07 | C02 | C01 | H011 | 0.1° | 0.3° |
| O07 | C02 | C03 | H031 | 0.4° | 0.1° |
| C02 | O07 | C25 | H252 | 93.5° | 60.1° |
| C02 | O07 | C25 | H251 | 26.2° | 60.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C03 | C04 | C05 | SI08 | 178.3° | 180.0° |
| C04 | C05 | C06 | SI08 | 177.7° | 180.0° |
| C04 | C05 | SI08 | C09 | 28.4° | 90.0° |
| C04 | C05 | SI08 | C10 | 150.4° | 150.0° |
| C04 | C05 | SI08 | C11 | 91.3° | 30.0° |
| C05 | C04 | C03 | H031 | 179.4° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C06 | C05 | SI08 | C09 | 153.9° | 90.0° |
| C06 | C05 | SI08 | C10 | 31.9° | 30.0° |
| C06 | C05 | SI08 | C11 | 86.5° | 150.0° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C06 | C05 | C04 | H041 | 179.4° | 180.0° |
| C05 | SI08 | C09 | C10 | 123.2° | 120.0° |
| C05 | SI08 | C09 | C11 | 118.3° | 120.0° |
| C05 | SI08 | C10 | C11 | 116.6° | 120.0° |
| C05 | SI08 | C09 | C12 | 95.0° | 90.0° |
| C05 | SI08 | C09 | C16 | 85.9° | 90.5° |
| C05 | SI08 | C10 | H101 | 180.0° | 60.0° |
| C05 | SI08 | C10 | H103 | 60.0° | 180.0° |
| C05 | SI08 | C10 | H102 | 60.0° | 60.0° |
| SI08 | C05 | C04 | H041 | 1.7° | 0.0° |
| SI08 | C05 | C06 | H061 | 2.2° | 0.0° |
| C05 | SI08 | C11 | H111 | 180.0° | 60.0° |
| C05 | SI08 | C11 | H112 | 60.0° | 180.0° |
| C05 | SI08 | C11 | H113 | 60.0° | 60.0° |
| O07 | C25 | C26 | H252 | 120.2° | 120.0° |
| O07 | C25 | C26 | H251 | 120.2° | 120.0° |
| O07 | C25 | C26 | O27 | 71.6° | 65.0° |
| O07 | C25 | C26 | C28 | 48.6° | 175.0° |
| O07 | C25 | C26 | H261 | 168.3° | 55.0° |
| O07 | C25 | H252 | H251 | 119.5° | 120.1° |
| C09 | SI08 | C10 | C11 | 118.2° | 120.0° |
| SI08 | C09 | C12 | C16 | 179.0° | 179.5° |
| SI08 | C09 | C12 | C13 | 179.3° | 180.0° |
| SI08 | C09 | C16 | C15 | 179.5° | 179.7° |
| C09 | SI08 | C10 | H101 | 54.8° | 180.0° |
| C09 | SI08 | C10 | H103 | 174.8° | 60.0° |
| C09 | SI08 | C10 | H102 | 65.2° | 60.0° |
| C09 | SI08 | C11 | H111 | 57.1° | 60.0° |
| C09 | SI08 | C11 | H112 | 62.9° | 59.9° |
| C09 | SI08 | C11 | H113 | 177.1° | 180.0° |
| SI08 | C09 | C12 | H121 | 0.7° | 0.1° |
| SI08 | C09 | C16 | H161 | 0.5° | 0.2° |
| C10 | SI08 | C09 | C12 | 28.1° | 30.1° |
| C10 | SI08 | C09 | C16 | 150.9° | 149.5° |
| SI08 | C10 | H101 | H103 | 120.0° | 120.0° |
| SI08 | C10 | H101 | H102 | 120.0° | 120.0° |
| SI08 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | SI08 | C11 | H111 | 60.8° | 180.0° |
| C10 | SI08 | C11 | H112 | 179.2° | 60.0° |
| C10 | SI08 | C11 | H113 | 59.2° | 60.0° |
| C11 | SI08 | C09 | C12 | 146.6° | 150.0° |
| C11 | SI08 | C09 | C16 | 32.4° | 29.5° |
| C11 | SI08 | C10 | H101 | 63.4° | 60.0° |
| C11 | SI08 | C10 | H103 | 56.6° | 60.0° |
| C11 | SI08 | C10 | H102 | 176.6° | 180.0° |
| SI08 | C11 | H111 | H112 | 120.0° | 120.0° |
| SI08 | C11 | H111 | H113 | 120.0° | 119.9° |
| SI08 | C11 | H112 | H113 | 120.0° | 120.0° |
| C09 | C12 | C13 | H121 | 180.0° | 179.9° |
| C09 | C12 | C13 | C14 | 0.0° | 0.1° |
| C12 | C09 | C16 | C15 | 0.5° | 0.8° |
| C09 | C12 | C13 | H131 | 180.0° | 179.8° |
| C12 | C09 | C16 | H161 | 179.5° | 179.3° |
| C16 | C09 | C12 | C13 | 0.3° | 0.5° |
| C09 | C16 | C15 | C14 | 0.4° | 0.6° |
| C09 | C16 | C15 | H161 | 180.0° | 179.9° |
| C09 | C16 | C15 | H151 | 179.6° | 180.0° |
| C16 | C09 | C12 | H121 | 179.7° | 179.4° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C12 | C13 | C14 | O17 | 179.8° | 179.7° |
| C13 | C14 | C15 | O17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | O17 | C18 | 2.4° | 180.0° |
| C13 | C14 | C15 | H151 | 179.9° | 179.5° |
| C14 | C13 | C12 | H121 | 180.0° | 179.9° |
| C14 | C15 | C16 | H151 | 180.0° | 179.5° |
| C15 | C14 | O17 | C18 | 177.6° | 0.0° |
| C15 | C14 | C13 | H131 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 179.6° | 179.5° |
| O17 | C14 | C15 | C16 | 180.0° | 180.0° |
| C14 | O17 | C18 | C19 | 179.5° | 180.0° |
| O17 | C14 | C13 | H131 | 0.2° | 0.0° |
| O17 | C14 | C15 | H151 | 0.0° | 0.5° |
| C14 | O17 | C18 | H181 | 60.8° | 59.9° |
| C14 | O17 | C18 | H182 | 59.8° | 60.1° |
| O17 | C18 | C19 | H181 | 119.7° | 120.1° |
| O17 | C18 | C19 | H182 | 119.7° | 119.9° |
| O17 | C18 | C19 | C20 | 177.2° | 56.3° |
| O17 | C18 | C19 | C22 | 60.1° | 176.3° |
| O17 | C18 | C19 | O24 | 57.9° | 63.7° |
| O17 | C18 | H181 | H182 | 121.0° | 120.0° |
| C18 | C19 | C20 | C22 | 123.9° | 120.0° |
| C18 | C19 | C20 | O24 | 117.3° | 120.0° |
| C18 | C19 | C22 | O24 | 117.9° | 120.0° |
| C18 | C19 | C20 | C21 | 171.0° | 61.4° |
| C18 | C19 | C22 | C23 | 67.6° | 175.0° |
| C18 | C19 | C20 | H201 | 50.9° | 58.7° |
| C18 | C19 | C20 | H202 | 68.8° | 178.6° |
| C18 | C19 | C22 | H221 | 52.9° | 55.0° |
| C18 | C19 | C22 | H222 | 171.9° | 65.0° |
| C19 | C18 | H181 | H182 | 120.9° | 120.0° |
| C18 | C19 | O24 | H241 | 180.0° | 60.0° |
| C20 | C19 | C22 | O24 | 120.4° | 120.0° |
| C19 | C20 | C21 | H201 | 120.2° | 120.0° |
| C19 | C20 | C21 | H202 | 120.1° | 120.0° |
| C20 | C19 | C22 | C23 | 54.1° | 55.0° |
| C19 | C20 | H201 | H202 | 119.5° | 119.9° |
| C19 | C20 | C21 | H211 | 180.0° | 62.1° |
| C19 | C20 | C21 | H212 | 60.0° | 57.8° |
| C19 | C20 | C21 | H213 | 60.0° | 177.9° |
| C20 | C19 | C22 | H221 | 174.6° | 65.0° |
| C20 | C19 | C22 | H222 | 66.4° | 175.0° |
| C20 | C19 | C18 | H181 | 57.5° | 176.4° |
| C20 | C19 | C18 | H182 | 63.1° | 63.6° |
| C20 | C19 | O24 | H241 | 61.7° | 180.0° |
| C22 | C19 | C20 | C21 | 65.1° | 58.6° |
| C19 | C22 | C23 | H221 | 120.5° | 120.0° |
| C19 | C22 | C23 | H222 | 120.5° | 120.0° |
| C22 | C19 | C20 | H201 | 174.8° | 178.7° |
| C22 | C19 | C20 | H202 | 55.1° | 61.4° |
| C19 | C22 | H221 | H222 | 118.5° | 119.9° |
| C22 | C19 | C18 | H181 | 179.8° | 63.6° |
| C22 | C19 | C18 | H182 | 59.6° | 56.4° |
| C19 | C22 | C23 | H232 | 180.0° | 180.0° |
| C19 | C22 | C23 | H231 | 60.0° | 60.0° |
| C19 | C22 | C23 | H233 | 60.0° | 60.0° |
| C22 | C19 | O24 | H241 | 58.8° | 60.0° |
| O24 | C19 | C20 | C21 | 53.7° | 178.6° |
| O24 | C19 | C22 | C23 | 174.5° | 65.0° |
| O24 | C19 | C20 | H201 | 66.5° | 61.4° |
| O24 | C19 | C20 | H202 | 173.8° | 58.6° |
| O24 | C19 | C22 | H221 | 65.0° | 175.0° |
| O24 | C19 | C22 | H222 | 54.1° | 55.0° |
| O24 | C19 | C18 | H181 | 61.8° | 56.4° |
| O24 | C19 | C18 | H182 | 177.6° | 176.4° |
| C21 | C20 | H201 | H202 | 119.5° | 120.1° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C23 | C22 | H221 | H222 | 118.5° | 120.1° |
| C22 | C23 | H232 | H231 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C25 | C26 | O27 | C28 | 122.6° | 120.0° |
| C25 | C26 | O27 | H261 | 118.8° | 120.0° |
| C25 | C26 | C28 | H261 | 119.7° | 120.0° |
| C25 | C26 | C28 | C29 | 146.5° | 175.0° |
| C25 | C26 | C28 | H282 | 93.7° | 65.0° |
| C25 | C26 | C28 | H281 | 26.6° | 55.0° |
| C26 | C25 | H252 | H251 | 119.5° | 119.9° |
| C25 | C26 | O27 | H271 | 180.0° | 59.9° |
| O27 | C26 | C28 | H261 | 119.8° | 120.0° |
| O27 | C26 | C28 | C29 | 93.0° | 65.0° |
| O27 | C26 | C28 | H282 | 26.8° | 55.0° |
| O27 | C26 | C28 | H281 | 147.1° | 175.0° |
| O27 | C26 | C25 | H252 | 168.3° | 175.0° |
| O27 | C26 | C25 | H251 | 48.6° | 55.0° |
| C26 | C28 | C29 | H282 | 119.9° | 120.0° |
| C26 | C28 | C29 | H281 | 119.9° | 120.1° |
| C26 | C28 | C29 | C30 | 121.8° | 180.0° |
| C26 | C28 | H282 | H281 | 120.3° | 120.1° |
| C28 | C26 | C25 | H252 | 71.6° | 55.0° |
| C28 | C26 | C25 | H251 | 168.8° | 65.0° |
| C26 | C28 | C29 | H292 | 117.7° | 60.0° |
| C26 | C28 | C29 | H291 | 1.3° | 60.0° |
| C28 | C26 | O27 | H271 | 57.4° | 60.0° |
| C28 | C29 | C30 | H292 | 120.5° | 120.0° |
| C28 | C29 | C30 | H291 | 120.5° | 120.0° |
| C28 | C29 | C30 | O31 | 151.4° | 0.0° |
| C28 | C29 | C30 | O32 | 28.8° | 179.9° |
| C29 | C28 | C26 | H261 | 26.7° | 55.0° |
| C29 | C28 | H282 | H281 | 120.4° | 120.0° |
| C28 | C29 | H292 | H291 | 118.5° | 120.0° |
| C29 | C30 | O31 | O32 | 179.8° | 179.9° |
| C30 | C29 | C28 | H282 | 1.9° | 60.0° |
| C30 | C29 | C28 | H281 | 118.3° | 60.0° |
| C30 | C29 | H292 | H291 | 118.5° | 120.0° |
| C29 | C30 | O32 | H1 | 179.8° | 180.0° |
| O31 | C30 | C29 | H292 | 30.9° | 119.9° |
| O31 | C30 | C29 | H291 | 88.1° | 120.0° |
| O31 | C30 | O32 | H1 | 0.0° | 0.1° |
| O32 | C30 | C29 | H292 | 149.3° | 59.9° |
| O32 | C30 | C29 | H291 | 91.7° | 60.1° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 0.0° | 0.4° |
| H151 | C15 | C16 | H161 | 0.4° | 0.0° |
| H201 | C20 | C21 | H211 | 59.8° | 57.8° |
| H201 | C20 | C21 | H212 | 179.8° | 177.8° |
| H201 | C20 | C21 | H213 | 60.2° | 62.2° |
| H202 | C20 | C21 | H211 | 59.9° | 177.9° |
| H202 | C20 | C21 | H212 | 60.1° | 62.1° |
| H202 | C20 | C21 | H213 | 179.8° | 57.9° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H221 | C22 | C23 | H232 | 59.5° | 60.1° |
| H221 | C22 | C23 | H231 | 179.5° | 180.0° |
| H221 | C22 | C23 | H233 | 60.5° | 60.0° |
| H222 | C22 | C23 | H232 | 59.5° | 60.0° |
| H222 | C22 | C23 | H231 | 60.5° | 59.9° |
| H222 | C22 | C23 | H233 | 179.5° | 180.0° |
| H261 | C26 | C28 | H282 | 146.6° | 175.0° |
| H261 | C26 | C28 | H281 | 93.2° | 65.0° |
| H261 | C26 | C25 | H252 | 48.2° | 65.0° |
| H261 | C26 | C25 | H251 | 71.5° | 175.0° |
| H261 | C26 | O27 | H271 | 61.1° | 179.9° |
| H282 | C28 | C29 | H292 | 122.4° | 180.0° |
| H282 | C28 | C29 | H291 | 118.5° | 60.0° |
| H281 | C28 | C29 | H292 | 2.2° | 60.1° |
| H281 | C28 | C29 | H291 | 121.2° | 180.0° |
| H011 | C01 | C06 | H061 | 0.4° | 0.3° |
| H031 | C03 | C04 | H041 | 0.6° | 0.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H232 | C23 | H231 | H233 | 120.0° | 120.0° |
