A1D90
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.52Å | 1.55Å | |
| C02 | O04 | doub | 1.21Å | 1.23Å | |
| C01 | C05 | sing | 1.53Å | 1.56Å | |
| C01 | C06 | sing | 1.53Å | 1.50Å | |
| C06 | O07 | sing | 1.45Å | 1.33Å | |
| C03 | C08 | sing | 1.52Å | 1.51Å | |
| C08 | O09 | doub | 1.21Å | 1.22Å | |
| C08 | O07 | sing | 1.35Å | 1.40Å | |
| C05 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | doub | 1.33Å | 1.34Å | |
| C12 | C14 | sing | 1.51Å | 1.42Å | |
| C13 | C15 | sing | 1.51Å | 1.47Å | |
| C16 | C12 | sing | 1.46Å | 1.49Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C06 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C16 | sing | 1.51Å | 1.49Å | |
| O19 | C20 | sing | 1.44Å | 1.47Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C21 | C22 | sing | 1.55Å | 1.56Å | |
| C22 | C23 | sing | 1.55Å | 1.61Å | |
| C15 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.59Å | |
| C27 | O28 | sing | 1.43Å | 1.34Å | |
| C02 | C03 | sing | 1.52Å | 1.56Å | |
| C23 | O19 | sing | 1.44Å | 1.39Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O28 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O04 | 119.4° | 121.3° |
| C02 | C01 | C05 | 109.1° | 109.7° |
| C02 | C01 | C06 | 112.2° | 108.4° |
| C01 | C02 | C03 | 115.8° | 117.4° |
| C02 | C01 | H011 | 108.2° | 109.7° |
| O04 | C02 | C03 | 124.9° | 121.3° |
| C05 | C01 | C06 | 110.4° | 109.6° |
| C01 | C05 | C10 | 112.0° | 109.4° |
| C05 | C01 | H011 | 108.0° | 109.7° |
| C01 | C05 | H052 | 108.9° | 109.5° |
| C01 | C05 | H051 | 108.8° | 109.5° |
| C01 | C06 | O07 | 114.1° | 109.3° |
| C01 | C06 | C18 | 106.0° | 109.5° |
| C06 | C01 | H011 | 108.8° | 109.7° |
| C01 | C06 | H061 | 106.7° | 109.5° |
| C06 | O07 | C08 | 115.9° | 116.3° |
| O07 | C06 | C18 | 114.6° | 109.5° |
| O07 | C06 | H061 | 108.9° | 109.5° |
| C03 | C08 | O09 | 124.4° | 121.1° |
| C03 | C08 | O07 | 119.3° | 117.8° |
| C08 | C03 | C02 | 115.0° | 107.2° |
| C08 | C03 | H031 | 108.1° | 109.9° |
| C08 | C03 | H032 | 108.1° | 110.0° |
| O09 | C08 | O07 | 116.2° | 121.1° |
| C05 | C10 | C11 | 111.0° | 109.5° |
| C10 | C05 | H052 | 108.8° | 109.4° |
| C10 | C05 | H051 | 108.8° | 109.5° |
| C05 | C10 | H101 | 109.1° | 109.5° |
| C05 | C10 | H102 | 109.1° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C13 | C12 | C14 | 128.2° | 120.0° |
| C12 | C13 | C15 | 114.1° | 120.0° |
| C13 | C12 | C16 | 119.2° | 120.0° |
| C12 | C13 | H131 | 123.0° | 120.0° |
| C14 | C12 | C16 | 112.6° | 120.0° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H141 | 109.5° | 109.4° |
| C13 | C15 | C20 | 119.7° | 109.5° |
| C15 | C13 | H131 | 122.9° | 120.0° |
| C13 | C15 | H152 | 106.9° | 109.5° |
| C13 | C15 | H151 | 106.9° | 109.5° |
| C12 | C16 | O17 | 118.4° | 120.0° |
| C12 | C16 | C18 | 116.6° | 120.0° |
| O17 | C16 | C18 | 124.8° | 120.0° |
| C06 | C18 | C16 | 109.6° | 109.5° |
| C18 | C06 | H061 | 106.0° | 109.5° |
| C06 | C18 | H181 | 109.5° | 109.5° |
| C06 | C18 | H182 | 109.5° | 109.5° |
| C16 | C18 | H181 | 109.4° | 109.4° |
| C16 | C18 | H182 | 109.4° | 109.5° |
| O19 | C20 | C21 | 106.8° | 107.3° |
| O19 | C20 | C15 | 106.2° | 109.9° |
| C20 | O19 | C23 | 111.3° | 107.0° |
| O19 | C20 | H201 | 109.2° | 110.0° |
| C20 | C21 | C22 | 102.7° | 104.1° |
| C21 | C20 | C15 | 117.6° | 109.9° |
| C20 | C21 | C24 | 116.2° | 110.5° |
| C21 | C20 | H201 | 108.6° | 109.9° |
| C20 | C21 | H211 | 108.8° | 110.5° |
| C21 | C22 | C23 | 106.8° | 102.2° |
| C22 | C21 | C24 | 111.3° | 110.5° |
| C22 | C21 | H211 | 108.3° | 110.5° |
| C21 | C22 | H222 | 110.1° | 110.9° |
| C21 | C22 | H221 | 110.1° | 110.9° |
| C22 | C23 | C25 | 115.0° | 110.6° |
| C22 | C23 | C26 | 111.5° | 110.7° |
| C22 | C23 | O19 | 103.3° | 103.5° |
| C23 | C22 | H222 | 110.1° | 110.9° |
| C23 | C22 | H221 | 110.2° | 110.9° |
| C20 | C15 | H152 | 106.9° | 109.5° |
| C20 | C15 | H151 | 106.9° | 109.5° |
| C15 | C20 | H201 | 108.3° | 109.8° |
| C24 | C21 | H211 | 109.0° | 110.6° |
| C21 | C24 | H242 | 109.5° | 109.5° |
| C21 | C24 | H243 | 109.5° | 109.4° |
| C21 | C24 | H241 | 109.5° | 109.4° |
| C25 | C23 | C26 | 112.3° | 110.6° |
| C25 | C23 | O19 | 102.7° | 110.6° |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | C25 | H253 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.5° | 109.5° |
| C23 | C26 | C27 | 119.4° | 109.5° |
| C26 | C23 | O19 | 111.2° | 110.8° |
| C23 | C26 | H261 | 107.0° | 109.5° |
| C23 | C26 | H262 | 107.0° | 109.5° |
| C26 | C27 | O28 | 114.8° | 109.4° |
| C27 | C26 | H261 | 106.9° | 109.5° |
| C27 | C26 | H262 | 106.9° | 109.4° |
| C26 | C27 | H271 | 108.1° | 109.5° |
| C26 | C27 | H272 | 108.1° | 109.4° |
| O28 | C27 | H271 | 108.1° | 109.5° |
| O28 | C27 | H272 | 108.1° | 109.5° |
| C27 | O28 | H1 | 109.5° | 113.9° |
| C02 | C03 | H031 | 108.0° | 109.9° |
| C02 | C03 | H032 | 108.0° | 109.9° |
| H031 | C03 | H032 | 109.5° | 110.0° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.4° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.4° | 110.8° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O04 | C03 | 179.8° | 180.0° |
| C02 | C01 | C05 | C06 | 123.7° | 118.9° |
| C02 | C01 | C05 | H011 | 117.4° | 120.5° |
| C02 | C01 | C06 | H011 | 119.7° | 119.7° |
| C02 | C01 | C06 | O07 | 50.7° | 52.9° |
| C01 | C02 | C03 | C08 | 14.0° | 44.4° |
| C02 | C01 | C05 | C10 | 75.6° | 65.1° |
| C02 | C01 | C06 | C18 | 76.3° | 67.1° |
| C01 | C02 | C03 | H031 | 134.8° | 163.8° |
| C01 | C02 | C03 | H032 | 106.8° | 75.0° |
| C02 | C01 | C05 | H052 | 164.0° | 175.0° |
| C02 | C01 | C05 | H051 | 44.7° | 54.9° |
| C02 | C01 | C06 | H061 | 171.0° | 172.8° |
| O04 | C02 | C01 | C05 | 68.8° | 111.7° |
| O04 | C02 | C01 | C06 | 168.5° | 128.6° |
| O04 | C02 | C03 | C08 | 165.8° | 135.6° |
| O04 | C02 | C01 | H011 | 48.5° | 8.9° |
| O04 | C02 | C03 | H031 | 45.0° | 16.2° |
| O04 | C02 | C03 | H032 | 73.4° | 104.9° |
| C05 | C01 | C06 | H011 | 118.4° | 120.6° |
| C05 | C01 | C06 | O07 | 71.2° | 66.8° |
| C01 | C05 | C10 | H052 | 120.4° | 119.9° |
| C01 | C05 | C10 | H051 | 120.4° | 120.0° |
| C01 | C05 | C10 | C11 | 127.1° | 180.0° |
| C05 | C01 | C06 | C18 | 161.8° | 173.2° |
| C05 | C01 | C02 | C03 | 111.0° | 68.3° |
| C01 | C05 | H052 | H051 | 118.8° | 120.0° |
| C05 | C01 | C06 | H061 | 49.1° | 53.1° |
| C01 | C05 | C10 | H101 | 112.7° | 60.0° |
| C01 | C05 | C10 | H102 | 6.9° | 59.9° |
| C01 | C06 | O07 | C18 | 122.4° | 120.0° |
| C01 | C06 | O07 | H061 | 119.1° | 119.9° |
| C01 | C06 | O07 | C08 | 62.8° | 57.3° |
| C06 | C01 | C05 | C10 | 160.6° | 176.0° |
| C01 | C06 | C18 | H061 | 113.2° | 120.1° |
| C01 | C06 | C18 | C16 | 153.8° | 175.0° |
| C06 | C01 | C02 | C03 | 11.7° | 51.4° |
| C06 | C01 | C05 | H052 | 40.2° | 56.1° |
| C06 | C01 | C05 | H051 | 79.0° | 64.0° |
| C01 | C06 | C18 | H181 | 33.8° | 55.0° |
| C01 | C06 | C18 | H182 | 86.2° | 65.0° |
| C06 | O07 | C08 | C03 | 32.4° | 54.5° |
| C06 | O07 | C08 | O09 | 150.5° | 125.5° |
| O07 | C06 | C18 | H061 | 120.1° | 120.1° |
| O07 | C06 | C18 | C16 | 79.5° | 65.2° |
| O07 | C06 | C01 | H011 | 170.4° | 172.6° |
| O07 | C06 | C18 | H181 | 160.5° | 174.9° |
| O07 | C06 | C18 | H182 | 40.5° | 54.9° |
| C03 | C08 | O09 | O07 | 177.0° | 180.0° |
| C08 | C03 | C02 | H031 | 120.8° | 119.3° |
| C08 | C03 | C02 | H032 | 120.8° | 119.5° |
| C08 | C03 | H031 | H032 | 117.5° | 121.2° |
| O09 | C08 | C03 | C02 | 170.7° | 135.6° |
| O09 | C08 | C03 | H031 | 49.9° | 16.2° |
| O09 | C08 | C03 | H032 | 68.5° | 104.9° |
| C08 | O07 | C06 | C18 | 59.6° | 62.7° |
| O07 | C08 | C03 | C02 | 6.2° | 44.4° |
| O07 | C08 | C03 | H031 | 127.0° | 163.8° |
| O07 | C08 | C03 | H032 | 114.6° | 75.0° |
| C08 | O07 | C06 | H061 | 178.2° | 177.2° |
| C05 | C10 | C11 | H101 | 120.2° | 120.0° |
| C05 | C10 | C11 | H102 | 120.2° | 120.1° |
| C10 | C05 | C01 | H011 | 41.7° | 55.5° |
| C10 | C05 | H052 | H051 | 118.8° | 120.0° |
| C05 | C10 | H101 | H102 | 119.3° | 120.0° |
| C05 | C10 | C11 | H111 | 180.0° | 180.0° |
| C05 | C10 | C11 | H113 | 60.0° | 60.0° |
| C05 | C10 | C11 | H112 | 60.0° | 60.0° |
| C11 | C10 | C05 | H052 | 6.7° | 60.1° |
| C11 | C10 | C05 | H051 | 112.5° | 60.0° |
| C11 | C10 | H101 | H102 | 119.3° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C13 | C12 | C14 | C16 | 178.1° | 180.0° |
| C12 | C13 | C15 | H131 | 180.0° | 180.0° |
| C13 | C12 | C16 | O17 | 155.1° | 0.0° |
| C13 | C12 | C16 | C18 | 20.2° | 180.0° |
| C12 | C13 | C15 | C20 | 130.1° | 125.3° |
| C13 | C12 | C14 | H143 | 180.0° | 64.9° |
| C13 | C12 | C14 | H142 | 60.0° | 175.1° |
| C13 | C12 | C14 | H141 | 60.0° | 55.1° |
| C12 | C13 | C15 | H152 | 108.5° | 114.6° |
| C12 | C13 | C15 | H151 | 8.6° | 5.3° |
| C14 | C12 | C13 | C15 | 0.0° | 5.4° |
| C14 | C12 | C16 | O17 | 23.2° | 180.0° |
| C14 | C12 | C16 | C18 | 161.5° | 0.0° |
| C14 | C12 | C13 | H131 | 180.0° | 174.6° |
| C12 | C14 | H143 | H142 | 120.0° | 120.0° |
| C12 | C14 | H143 | H141 | 120.0° | 119.9° |
| C12 | C14 | H142 | H141 | 120.0° | 119.9° |
| C15 | C13 | C12 | C16 | 178.0° | 174.6° |
| C13 | C15 | C20 | O19 | 67.5° | 67.1° |
| C13 | C15 | C20 | C21 | 173.1° | 175.0° |
| C13 | C15 | C20 | H152 | 121.5° | 120.0° |
| C13 | C15 | C20 | H151 | 121.4° | 120.0° |
| C13 | C15 | H152 | H151 | 115.4° | 120.0° |
| C13 | C15 | C20 | H201 | 49.7° | 54.0° |
| C12 | C16 | O17 | C18 | 174.9° | 180.0° |
| C12 | C16 | C18 | C06 | 147.1° | 180.0° |
| C16 | C12 | C13 | H131 | 2.0° | 5.4° |
| C16 | C12 | C14 | H143 | 1.9° | 115.0° |
| C16 | C12 | C14 | H142 | 118.1° | 4.9° |
| C16 | C12 | C14 | H141 | 121.9° | 124.9° |
| C12 | C16 | C18 | H181 | 27.1° | 60.0° |
| C12 | C16 | C18 | H182 | 92.8° | 60.0° |
| O17 | C16 | C18 | C06 | 27.8° | 0.0° |
| O17 | C16 | C18 | H181 | 147.9° | 120.0° |
| O17 | C16 | C18 | H182 | 92.2° | 120.0° |
| C06 | C18 | C16 | H181 | 120.0° | 120.0° |
| C06 | C18 | C16 | H182 | 120.0° | 120.0° |
| C18 | C06 | C01 | H011 | 43.4° | 52.7° |
| C06 | C18 | H181 | H182 | 120.0° | 120.0° |
| C16 | C18 | C06 | H061 | 40.6° | 54.9° |
| C16 | C18 | H181 | H182 | 119.9° | 120.0° |
| O19 | C20 | C21 | C15 | 119.1° | 119.5° |
| O19 | C20 | C21 | H201 | 117.6° | 119.6° |
| O19 | C20 | C21 | C22 | 21.5° | 2.0° |
| C20 | O19 | C23 | C22 | 27.3° | 40.0° |
| O19 | C20 | C15 | H201 | 117.1° | 121.1° |
| O19 | C20 | C21 | C24 | 100.3° | 116.6° |
| C20 | O19 | C23 | C25 | 92.6° | 78.4° |
| C20 | O19 | C23 | C26 | 147.1° | 158.6° |
| O19 | C20 | C15 | H152 | 171.1° | 172.8° |
| O19 | C20 | C15 | H151 | 54.0° | 52.9° |
| O19 | C20 | C21 | H211 | 136.2° | 120.7° |
| C20 | C21 | C22 | C24 | 125.1° | 118.6° |
| C20 | C21 | C22 | H211 | 115.1° | 118.7° |
| C20 | C21 | C22 | C23 | 5.8° | 20.9° |
| C21 | C20 | C15 | H201 | 123.5° | 121.0° |
| C20 | C21 | C24 | H211 | 123.4° | 122.7° |
| C21 | C20 | O19 | C23 | 32.8° | 26.4° |
| C21 | C20 | C15 | H152 | 51.7° | 54.9° |
| C21 | C20 | C15 | H151 | 65.4° | 65.0° |
| C20 | C21 | C22 | H222 | 113.8° | 139.1° |
| C20 | C21 | C22 | H221 | 125.4° | 97.3° |
| C20 | C21 | C24 | H242 | 180.0° | 60.0° |
| C20 | C21 | C24 | H243 | 60.0° | 180.0° |
| C20 | C21 | C24 | H241 | 60.0° | 60.1° |
| C21 | C22 | C23 | H222 | 119.6° | 118.2° |
| C21 | C22 | C23 | H221 | 119.6° | 118.3° |
| C22 | C21 | C20 | C15 | 140.6° | 121.5° |
| C22 | C21 | C24 | H211 | 119.5° | 122.7° |
| C21 | C22 | C23 | C25 | 98.7° | 81.4° |
| C21 | C22 | C23 | C26 | 132.0° | 155.7° |
| C21 | C22 | C23 | O19 | 12.5° | 37.0° |
| C22 | C21 | C20 | H201 | 96.1° | 117.6° |
| C21 | C22 | H222 | H221 | 121.2° | 123.7° |
| C22 | C21 | C24 | H242 | 62.9° | 54.7° |
| C22 | C21 | C24 | H243 | 177.1° | 65.3° |
| C22 | C21 | C24 | H241 | 57.1° | 174.8° |
| C23 | C22 | C21 | C24 | 119.3° | 139.5° |
| C22 | C23 | C25 | C26 | 129.0° | 122.9° |
| C22 | C23 | C25 | O19 | 111.5° | 114.0° |
| C22 | C23 | C26 | O19 | 114.8° | 114.2° |
| C22 | C23 | C26 | C27 | 162.8° | 175.0° |
| C23 | C22 | C21 | H211 | 120.9° | 97.8° |
| C23 | C22 | H222 | H221 | 121.2° | 123.6° |
| C22 | C23 | C25 | H251 | 180.0° | 60.1° |
| C22 | C23 | C25 | H253 | 60.0° | 179.9° |
| C22 | C23 | C25 | H252 | 60.0° | 60.0° |
| C22 | C23 | C26 | H261 | 75.8° | 55.0° |
| C22 | C23 | C26 | H262 | 41.4° | 65.0° |
| C15 | C20 | C21 | C24 | 18.8° | 2.9° |
| C15 | C20 | O19 | C23 | 159.0° | 145.9° |
| C20 | C15 | C13 | H131 | 49.9° | 54.7° |
| C20 | C15 | H152 | H151 | 115.4° | 120.0° |
| C15 | C20 | C21 | H211 | 104.7° | 119.9° |
| C24 | C21 | C20 | H201 | 142.1° | 123.8° |
| C24 | C21 | C22 | H222 | 121.2° | 102.3° |
| C24 | C21 | C22 | H221 | 0.3° | 21.3° |
| C21 | C24 | H242 | H243 | 120.0° | 120.0° |
| C21 | C24 | H242 | H241 | 120.0° | 120.0° |
| C21 | C24 | H243 | H241 | 120.0° | 119.9° |
| C25 | C23 | C26 | O19 | 114.5° | 123.0° |
| C25 | C23 | C26 | C27 | 66.4° | 52.2° |
| C25 | C23 | C22 | H222 | 20.9° | 36.8° |
| C25 | C23 | C22 | H221 | 141.8° | 160.3° |
| C23 | C25 | H251 | H253 | 120.0° | 120.0° |
| C23 | C25 | H251 | H252 | 120.0° | 120.1° |
| C23 | C25 | H253 | H252 | 120.0° | 120.0° |
| C25 | C23 | C26 | H261 | 55.0° | 67.9° |
| C25 | C23 | C26 | H262 | 172.2° | 172.1° |
| C23 | C26 | C27 | H261 | 121.4° | 120.0° |
| C23 | C26 | C27 | H262 | 121.4° | 120.0° |
| C23 | C26 | C27 | O28 | 132.8° | 180.0° |
| C26 | C23 | C22 | H222 | 108.4° | 86.1° |
| C26 | C23 | C22 | H221 | 12.4° | 37.5° |
| C26 | C23 | C25 | H251 | 51.0° | 62.8° |
| C26 | C23 | C25 | H253 | 171.0° | 57.1° |
| C26 | C23 | C25 | H252 | 69.0° | 177.1° |
| C23 | C26 | H261 | H262 | 115.5° | 120.0° |
| C23 | C26 | C27 | H271 | 106.4° | 59.9° |
| C23 | C26 | C27 | H272 | 12.0° | 60.0° |
| C26 | C27 | O28 | H271 | 120.8° | 120.0° |
| C26 | C27 | O28 | H272 | 120.8° | 119.9° |
| C27 | C26 | C23 | O19 | 48.1° | 70.8° |
| C27 | C26 | H261 | H262 | 115.5° | 120.0° |
| C26 | C27 | H271 | H272 | 117.6° | 120.0° |
| C26 | C27 | O28 | H1 | 180.0° | 180.0° |
| O28 | C27 | C26 | H261 | 11.4° | 60.0° |
| O28 | C27 | C26 | H262 | 105.8° | 60.0° |
| O28 | C27 | H271 | H272 | 117.6° | 120.0° |
| C03 | C02 | C01 | H011 | 131.7° | 171.1° |
| C02 | C03 | H031 | H032 | 117.4° | 121.2° |
| C23 | O19 | C20 | H201 | 84.4° | 93.0° |
| O19 | C23 | C22 | H222 | 132.0° | 155.2° |
| O19 | C23 | C22 | H221 | 107.1° | 81.3° |
| O19 | C23 | C25 | H251 | 68.5° | 174.1° |
| O19 | C23 | C25 | H253 | 51.5° | 65.9° |
| O19 | C23 | C25 | H252 | 171.5° | 54.0° |
| O19 | C23 | C26 | H261 | 169.4° | 169.2° |
| O19 | C23 | C26 | H262 | 73.3° | 49.1° |
| H011 | C01 | C05 | H052 | 78.7° | 64.5° |
| H011 | C01 | C05 | H051 | 162.1° | 175.5° |
| H011 | C01 | C06 | H061 | 69.3° | 67.5° |
| H052 | C05 | C10 | H101 | 126.9° | 180.0° |
| H052 | C05 | C10 | H102 | 113.5° | 60.0° |
| H051 | C05 | C10 | H101 | 7.7° | 60.0° |
| H051 | C05 | C10 | H102 | 127.2° | 179.9° |
| H061 | C06 | C18 | H181 | 79.4° | 65.1° |
| H061 | C06 | C18 | H182 | 160.7° | 174.9° |
| H101 | C10 | C11 | H111 | 59.8° | 60.0° |
| H101 | C10 | C11 | H113 | 179.8° | 180.0° |
| H101 | C10 | C11 | H112 | 60.2° | 60.0° |
| H102 | C10 | C11 | H111 | 59.8° | 59.9° |
| H102 | C10 | C11 | H113 | 60.3° | 60.1° |
| H102 | C10 | C11 | H112 | 179.8° | 180.0° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H131 | C13 | C15 | H152 | 71.6° | 65.3° |
| H131 | C13 | C15 | H151 | 171.3° | 174.7° |
| H143 | C14 | H142 | H141 | 120.0° | 120.1° |
| H152 | C15 | C20 | H201 | 71.8° | 66.0° |
| H151 | C15 | C20 | H201 | 171.1° | 174.0° |
| H201 | C20 | C21 | H211 | 18.6° | 1.1° |
| H211 | C21 | C22 | H222 | 1.3° | 20.4° |
| H211 | C21 | C22 | H221 | 119.5° | 144.0° |
| H211 | C21 | C24 | H242 | 56.6° | 177.4° |
| H211 | C21 | C24 | H243 | 63.4° | 57.3° |
| H211 | C21 | C24 | H241 | 176.6° | 62.6° |
| H242 | C24 | H243 | H241 | 120.0° | 120.0° |
| H251 | C25 | H253 | H252 | 120.0° | 120.0° |
| H261 | C26 | C27 | H271 | 132.2° | 180.0° |
| H261 | C26 | C27 | H272 | 109.4° | 60.0° |
| H262 | C26 | C27 | H271 | 15.0° | 60.0° |
| H262 | C26 | C27 | H272 | 133.4° | NaN° |
| H271 | C27 | O28 | H1 | 59.2° | 60.0° |
| H272 | C27 | O28 | H1 | 59.2° | 60.1° |
