A1D91
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.52Å | 1.61Å | |
| C02 | O04 | doub | 1.21Å | 1.22Å | |
| C01 | C05 | sing | 1.53Å | 1.48Å | |
| C01 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | O07 | sing | 1.45Å | 1.44Å | |
| C03 | C08 | sing | 1.52Å | 1.54Å | |
| C08 | O09 | doub | 1.21Å | 1.27Å | |
| C08 | O07 | sing | 1.35Å | 1.45Å | |
| C05 | C10 | sing | 1.53Å | 1.58Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | doub | 1.33Å | 1.35Å | |
| C12 | C14 | sing | 1.51Å | 1.45Å | |
| C13 | C15 | sing | 1.51Å | 1.47Å | |
| C16 | C12 | sing | 1.46Å | 1.56Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C06 | C18 | sing | 1.53Å | 1.47Å | |
| C18 | C16 | sing | 1.51Å | 1.56Å | |
| O19 | C20 | sing | 1.44Å | 1.41Å | |
| C20 | C21 | sing | 1.55Å | 1.56Å | |
| C21 | C22 | sing | 1.55Å | 1.55Å | |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C15 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.58Å | |
| C27 | O28 | sing | 1.43Å | 1.34Å | |
| C02 | C03 | sing | 1.52Å | 1.55Å | |
| C23 | O19 | sing | 1.44Å | 1.42Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| 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 | |
| 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 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | 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 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | 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 | 119.7° | 121.3° |
| C02 | C01 | C05 | 111.0° | 109.7° |
| C02 | C01 | C06 | 102.1° | 108.4° |
| C01 | C02 | C03 | 114.5° | 117.4° |
| C02 | C01 | H011 | 108.0° | 109.7° |
| O04 | C02 | C03 | 125.7° | 121.3° |
| C05 | C01 | C06 | 117.0° | 109.7° |
| C01 | C05 | C10 | 111.6° | 109.4° |
| C05 | C01 | H011 | 109.7° | 109.7° |
| C01 | C05 | H052 | 108.9° | 109.5° |
| C01 | C05 | H051 | 108.9° | 109.5° |
| C01 | C06 | O07 | 108.7° | 109.3° |
| C01 | C06 | C18 | 114.4° | 109.5° |
| C06 | C01 | H011 | 108.6° | 109.7° |
| C01 | C06 | H061 | 104.8° | 109.5° |
| C06 | O07 | C08 | 117.1° | 116.3° |
| O07 | C06 | C18 | 116.2° | 109.5° |
| O07 | C06 | H061 | 106.1° | 109.5° |
| C03 | C08 | O09 | 127.7° | 121.1° |
| C03 | C08 | O07 | 113.5° | 117.8° |
| C08 | C03 | C02 | 107.4° | 107.2° |
| C08 | C03 | H031 | 110.0° | 109.9° |
| C08 | C03 | H032 | 110.0° | 109.9° |
| O09 | C08 | O07 | 118.8° | 121.1° |
| C05 | C10 | C11 | 109.8° | 109.5° |
| C05 | C10 | H102 | 109.4° | 109.5° |
| C05 | C10 | H101 | 109.4° | 109.5° |
| C10 | C05 | H052 | 108.9° | 109.4° |
| C10 | C05 | H051 | 109.0° | 109.5° |
| C11 | C10 | H102 | 109.4° | 109.5° |
| C11 | C10 | H101 | 109.4° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C13 | C12 | C14 | 129.4° | 120.0° |
| C12 | C13 | C15 | 113.4° | 120.0° |
| C13 | C12 | C16 | 119.0° | 120.0° |
| C12 | C13 | H131 | 123.3° | 120.0° |
| C14 | C12 | C16 | 111.5° | 120.0° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H141 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.5° | 109.4° |
| C13 | C15 | C20 | 122.6° | 109.5° |
| C15 | C13 | H131 | 123.3° | 120.0° |
| C13 | C15 | H152 | 106.1° | 109.5° |
| C13 | C15 | H151 | 106.1° | 109.5° |
| C12 | C16 | O17 | 117.7° | 120.0° |
| C12 | C16 | C18 | 119.5° | 120.0° |
| O17 | C16 | C18 | 122.7° | 120.0° |
| C06 | C18 | C16 | 109.4° | 109.5° |
| C18 | C06 | H061 | 105.8° | 109.5° |
| C06 | C18 | H181 | 109.5° | 109.5° |
| C06 | C18 | H182 | 109.5° | 109.5° |
| C16 | C18 | H181 | 109.5° | 109.5° |
| C16 | C18 | H182 | 109.5° | 109.5° |
| O19 | C20 | C21 | 103.5° | 103.5° |
| O19 | C20 | C15 | 112.4° | 110.6° |
| C20 | O19 | C23 | 110.0° | 107.0° |
| O19 | C20 | H201 | 110.4° | 110.8° |
| C20 | C21 | C22 | 102.5° | 102.1° |
| C21 | C20 | C15 | 113.4° | 110.6° |
| C20 | C21 | C24 | 115.7° | 111.0° |
| C21 | C20 | H201 | 108.4° | 110.6° |
| C20 | C21 | H211 | 109.2° | 110.9° |
| C21 | C22 | C23 | 105.0° | 104.2° |
| C22 | C21 | C24 | 110.4° | 110.9° |
| C22 | C21 | H211 | 109.3° | 110.8° |
| C21 | C22 | H222 | 110.5° | 110.5° |
| C21 | C22 | H221 | 110.6° | 110.4° |
| C22 | C23 | C25 | 110.0° | 109.9° |
| C22 | C23 | C26 | 114.4° | 109.9° |
| C22 | C23 | O19 | 103.5° | 107.3° |
| C23 | C22 | H222 | 110.6° | 110.5° |
| C23 | C22 | H221 | 110.6° | 110.5° |
| C20 | C15 | H152 | 106.1° | 109.4° |
| C20 | C15 | H151 | 106.1° | 109.4° |
| C15 | C20 | H201 | 108.6° | 110.6° |
| C24 | C21 | H211 | 109.4° | 110.9° |
| C21 | C24 | H243 | 109.5° | 109.5° |
| C21 | C24 | H241 | 109.4° | 109.5° |
| C21 | C24 | H242 | 109.5° | 109.4° |
| C25 | C23 | C26 | 113.9° | 109.9° |
| C25 | C23 | O19 | 106.8° | 109.9° |
| C23 | C25 | H251 | 109.5° | 109.4° |
| C23 | C25 | H253 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.5° | 109.5° |
| C23 | C26 | C27 | 114.9° | 109.5° |
| C26 | C23 | O19 | 107.5° | 110.0° |
| C23 | C26 | H261 | 108.1° | 109.5° |
| C23 | C26 | H262 | 108.1° | 109.5° |
| C26 | C27 | O28 | 117.0° | 109.5° |
| C27 | C26 | H261 | 108.1° | 109.5° |
| C27 | C26 | H262 | 108.1° | 109.4° |
| C26 | C27 | H272 | 107.6° | 109.5° |
| C26 | C27 | H271 | 107.5° | 109.4° |
| O28 | C27 | H272 | 107.5° | 109.5° |
| O28 | C27 | H271 | 107.6° | 109.5° |
| C27 | O28 | H1 | 109.5° | 114.0° |
| C02 | C03 | H031 | 110.0° | 109.9° |
| C02 | C03 | H032 | 110.0° | 109.9° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.6° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.9° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 110.6° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H253 | C25 | H252 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O04 | C03 | 176.3° | 180.0° |
| C02 | C01 | C05 | C06 | 116.5° | 118.9° |
| C02 | C01 | C05 | H011 | 119.3° | 120.5° |
| C02 | C01 | C06 | H011 | 113.9° | 119.7° |
| C02 | C01 | C06 | O07 | 68.4° | 52.8° |
| C01 | C02 | C03 | C08 | 6.0° | 44.4° |
| C02 | C01 | C05 | C10 | 65.9° | 65.0° |
| C02 | C01 | C06 | C18 | 160.0° | 67.1° |
| C01 | C02 | C03 | H031 | 113.7° | 163.8° |
| C01 | C02 | C03 | H032 | 125.6° | 75.0° |
| C02 | C01 | C05 | H052 | 173.8° | 54.9° |
| C02 | C01 | C05 | H051 | 54.4° | 175.0° |
| C02 | C01 | C06 | H061 | 44.6° | 172.8° |
| O04 | C02 | C01 | C05 | 0.4° | 111.7° |
| O04 | C02 | C01 | C06 | 125.0° | 128.6° |
| O04 | C02 | C03 | C08 | 177.6° | 135.6° |
| O04 | C02 | C01 | H011 | 120.6° | 8.9° |
| O04 | C02 | C03 | H031 | 62.7° | 16.1° |
| O04 | C02 | C03 | H032 | 57.9° | 105.0° |
| C05 | C01 | C06 | H011 | 124.7° | 120.5° |
| C05 | C01 | C06 | O07 | 170.3° | 66.9° |
| C01 | C05 | C10 | H052 | 120.3° | 120.0° |
| C01 | C05 | C10 | H051 | 120.3° | 120.0° |
| C01 | C05 | C10 | C11 | 136.5° | 180.0° |
| C05 | C01 | C06 | C18 | 38.7° | 173.2° |
| C05 | C01 | C02 | C03 | 177.1° | 68.3° |
| C01 | C05 | C10 | H102 | 16.4° | 60.0° |
| C01 | C05 | C10 | H101 | 103.5° | 60.0° |
| C01 | C05 | H052 | H051 | 119.0° | 120.0° |
| C05 | C01 | C06 | H061 | 76.7° | 53.1° |
| C01 | C06 | O07 | C18 | 130.7° | 119.9° |
| C01 | C06 | O07 | H061 | 112.2° | 119.9° |
| C01 | C06 | O07 | C08 | 24.9° | 57.2° |
| C06 | C01 | C05 | C10 | 177.5° | 176.0° |
| C01 | C06 | C18 | H061 | 114.7° | 120.1° |
| C01 | C06 | C18 | C16 | 157.3° | 175.0° |
| C06 | C01 | C02 | C03 | 51.7° | 51.4° |
| C06 | C01 | C05 | H052 | 57.2° | 64.0° |
| C06 | C01 | C05 | H051 | 62.1° | 56.1° |
| C01 | C06 | C18 | H181 | 37.3° | 65.0° |
| C01 | C06 | C18 | H182 | 82.7° | 55.0° |
| C06 | O07 | C08 | C03 | 40.4° | 54.4° |
| C06 | O07 | C08 | O09 | 140.4° | 125.5° |
| O07 | C06 | C18 | H061 | 117.4° | 120.1° |
| O07 | C06 | C18 | C16 | 74.8° | 65.2° |
| O07 | C06 | C01 | H011 | 45.5° | 172.6° |
| O07 | C06 | C18 | H181 | 165.2° | 54.8° |
| O07 | C06 | C18 | H182 | 45.1° | 174.8° |
| C03 | C08 | O09 | O07 | 179.1° | 179.9° |
| C08 | C03 | C02 | H031 | 119.7° | 119.4° |
| C08 | C03 | C02 | H032 | 119.7° | 119.4° |
| C08 | C03 | H031 | H032 | 121.0° | 121.1° |
| O09 | C08 | C03 | C02 | 126.1° | 135.5° |
| O09 | C08 | C03 | H031 | 114.2° | 16.1° |
| O09 | C08 | C03 | H032 | 6.4° | 105.0° |
| C08 | O07 | C06 | C18 | 155.5° | 62.8° |
| O07 | C08 | C03 | C02 | 54.7° | 44.3° |
| O07 | C08 | C03 | H031 | 65.0° | 163.8° |
| O07 | C08 | C03 | H032 | 174.4° | 75.1° |
| C08 | O07 | C06 | H061 | 87.3° | 177.1° |
| C05 | C10 | C11 | H102 | 120.1° | 120.1° |
| C05 | C10 | C11 | H101 | 120.1° | 120.0° |
| C05 | C10 | H102 | H101 | 119.8° | 120.0° |
| C05 | C10 | C11 | H112 | 180.0° | 180.0° |
| C05 | C10 | C11 | H111 | 60.0° | 60.0° |
| C05 | C10 | C11 | H113 | 60.0° | 59.9° |
| C10 | C05 | C01 | H011 | 53.3° | 55.5° |
| C10 | C05 | H052 | H051 | 119.0° | 120.0° |
| C11 | C10 | H102 | H101 | 119.8° | 119.9° |
| C10 | C11 | H112 | H111 | 120.0° | 119.9° |
| C10 | C11 | H112 | H113 | 120.0° | 120.1° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C11 | C10 | C05 | H052 | 103.2° | 60.0° |
| C11 | C10 | C05 | H051 | 16.1° | 60.1° |
| C13 | C12 | C14 | C16 | 176.5° | 180.0° |
| C12 | C13 | C15 | H131 | 180.0° | 180.0° |
| C13 | C12 | C16 | O17 | 167.0° | 0.1° |
| C13 | C12 | C16 | C18 | 11.7° | 180.0° |
| C12 | C13 | C15 | C20 | 135.7° | 126.1° |
| C12 | C13 | C15 | H152 | 102.5° | 6.2° |
| C12 | C13 | C15 | H151 | 13.9° | 113.9° |
| C13 | C12 | C14 | H142 | 180.0° | 85.0° |
| C13 | C12 | C14 | H141 | 60.0° | 154.9° |
| C13 | C12 | C14 | H143 | 60.0° | 34.9° |
| C14 | C12 | C13 | C15 | 3.8° | 6.1° |
| C14 | C12 | C16 | O17 | 9.9° | 180.0° |
| C14 | C12 | C16 | C18 | 171.3° | 0.0° |
| C14 | C12 | C13 | H131 | 176.2° | 173.9° |
| C12 | C14 | H142 | H141 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 119.9° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C15 | C13 | C12 | C16 | 179.9° | 173.9° |
| C13 | C15 | C20 | O19 | 93.1° | 71.0° |
| C13 | C15 | C20 | C21 | 149.8° | 175.0° |
| C13 | C15 | C20 | H152 | 121.8° | 120.0° |
| C13 | C15 | C20 | H151 | 121.8° | 120.0° |
| C13 | C15 | H152 | H151 | 114.1° | 120.1° |
| C13 | C15 | C20 | H201 | 29.2° | 52.1° |
| C12 | C16 | O17 | C18 | 178.7° | 179.9° |
| C12 | C16 | C18 | C06 | 99.0° | 180.0° |
| C16 | C12 | C13 | H131 | 0.1° | 6.1° |
| C16 | C12 | C14 | H142 | 3.5° | 94.9° |
| C16 | C12 | C14 | H141 | 123.5° | 25.2° |
| C16 | C12 | C14 | H143 | 116.5° | 145.2° |
| C12 | C16 | C18 | H181 | 21.0° | 60.0° |
| C12 | C16 | C18 | H182 | 141.1° | 60.0° |
| O17 | C16 | C18 | C06 | 82.4° | 0.1° |
| O17 | C16 | C18 | H181 | 157.6° | 120.0° |
| O17 | C16 | C18 | H182 | 37.6° | 120.1° |
| C06 | C18 | C16 | H181 | 120.0° | 120.0° |
| C06 | C18 | C16 | H182 | 120.0° | 120.0° |
| C18 | C06 | C01 | H011 | 86.1° | 52.6° |
| C06 | C18 | H181 | H182 | 120.1° | 120.0° |
| C16 | C18 | C06 | H061 | 42.5° | 54.9° |
| C16 | C18 | H181 | H182 | 120.1° | 120.0° |
| O19 | C20 | C21 | C15 | 122.2° | 118.5° |
| O19 | C20 | C21 | H201 | 117.2° | 118.7° |
| O19 | C20 | C21 | C22 | 31.9° | 37.1° |
| C20 | O19 | C23 | C22 | 32.7° | 26.5° |
| O19 | C20 | C15 | H201 | 122.4° | 123.1° |
| O19 | C20 | C21 | C24 | 88.3° | 81.1° |
| C20 | O19 | C23 | C25 | 148.8° | 146.0° |
| C20 | O19 | C23 | C26 | 88.7° | 93.0° |
| O19 | C20 | C15 | H152 | 145.1° | 169.0° |
| O19 | C20 | C15 | H151 | 28.7° | 49.1° |
| O19 | C20 | C21 | H211 | 147.8° | 155.2° |
| C20 | C21 | C22 | C24 | 123.8° | 118.2° |
| C20 | C21 | C22 | H211 | 115.8° | 118.2° |
| C20 | C21 | C22 | C23 | 12.9° | 20.9° |
| C21 | C20 | C15 | H201 | 120.6° | 122.9° |
| C20 | C21 | C24 | H211 | 123.9° | 123.8° |
| C21 | C20 | O19 | C23 | 41.8° | 40.1° |
| C21 | C20 | C15 | H152 | 28.0° | 55.0° |
| C21 | C20 | C15 | H151 | 88.4° | 65.0° |
| C20 | C21 | C22 | H222 | 106.4° | 97.8° |
| C20 | C21 | C22 | H221 | 132.2° | 139.6° |
| C20 | C21 | C24 | H243 | 180.0° | 60.0° |
| C20 | C21 | C24 | H241 | 60.0° | 180.0° |
| C20 | C21 | C24 | H242 | 60.0° | 60.0° |
| C21 | C22 | C23 | H222 | 119.3° | 118.7° |
| C21 | C22 | C23 | H221 | 119.3° | 118.6° |
| C22 | C21 | C20 | C15 | 154.0° | 155.6° |
| C22 | C21 | C24 | H211 | 120.3° | 123.6° |
| C21 | C22 | C23 | C25 | 123.8° | 121.4° |
| C21 | C22 | C23 | C26 | 106.6° | 117.6° |
| C21 | C22 | C23 | O19 | 10.0° | 2.0° |
| C22 | C21 | C20 | H201 | 85.3° | 81.6° |
| C21 | C22 | H222 | H221 | 122.1° | 122.6° |
| C22 | C21 | C24 | H243 | 64.2° | 52.7° |
| C22 | C21 | C24 | H241 | 175.8° | 67.3° |
| C22 | C21 | C24 | H242 | 55.8° | 172.7° |
| C23 | C22 | C21 | C24 | 111.0° | 97.3° |
| C22 | C23 | C25 | C26 | 129.9° | 121.0° |
| C22 | C23 | C25 | O19 | 111.7° | 117.9° |
| C22 | C23 | C26 | O19 | 114.3° | 117.9° |
| C22 | C23 | C26 | C27 | 145.7° | 180.0° |
| C23 | C22 | C21 | H211 | 128.7° | 139.1° |
| C23 | C22 | H222 | H221 | 122.1° | 122.6° |
| C22 | C23 | C25 | H251 | 180.0° | 60.0° |
| C22 | C23 | C25 | H253 | 60.0° | 180.0° |
| C22 | C23 | C25 | H252 | 60.0° | 60.0° |
| C22 | C23 | C26 | H261 | 24.9° | 59.9° |
| C22 | C23 | C26 | H262 | 93.5° | 60.0° |
| C15 | C20 | C21 | C24 | 33.9° | 37.4° |
| C15 | C20 | O19 | C23 | 164.6° | 158.6° |
| C20 | C15 | C13 | H131 | 44.2° | 53.9° |
| C20 | C15 | H152 | H151 | 114.1° | 119.9° |
| C15 | C20 | C21 | H211 | 90.1° | 86.3° |
| C24 | C21 | C20 | H201 | 154.5° | 160.2° |
| C24 | C21 | C22 | H222 | 129.7° | 144.0° |
| C24 | C21 | C22 | H221 | 8.4° | 21.3° |
| C21 | C24 | H243 | H241 | 120.0° | 120.1° |
| C21 | C24 | H243 | H242 | 120.0° | 119.9° |
| C21 | C24 | H241 | H242 | 120.0° | 120.0° |
| C25 | C23 | C26 | O19 | 118.1° | 121.1° |
| C25 | C23 | C26 | C27 | 86.6° | 58.9° |
| C25 | C23 | C22 | H222 | 116.9° | 119.9° |
| C25 | C23 | C22 | H221 | 4.5° | 2.8° |
| C23 | C25 | H251 | H253 | 120.0° | 120.0° |
| C23 | C25 | H251 | H252 | 120.0° | 120.0° |
| C23 | C25 | H253 | H252 | 120.0° | 120.0° |
| C25 | C23 | C26 | H261 | 152.6° | 179.0° |
| C25 | C23 | C26 | H262 | 34.2° | 61.0° |
| C23 | C26 | C27 | H261 | 120.8° | 120.1° |
| C23 | C26 | C27 | H262 | 120.8° | 120.0° |
| C23 | C26 | C27 | O28 | 82.4° | 180.0° |
| C26 | C23 | C22 | H222 | 12.7° | 1.1° |
| C26 | C23 | C22 | H221 | 134.1° | 123.8° |
| C26 | C23 | C25 | H251 | 50.2° | 179.0° |
| C26 | C23 | C25 | H253 | 69.9° | 58.9° |
| C26 | C23 | C25 | H252 | 170.1° | 61.0° |
| C23 | C26 | H261 | H262 | 117.5° | 120.0° |
| C23 | C26 | C27 | H272 | 156.5° | 60.0° |
| C23 | C26 | C27 | H271 | 38.7° | 60.0° |
| C26 | C27 | O28 | H272 | 121.1° | 120.0° |
| C26 | C27 | O28 | H271 | 121.1° | 120.0° |
| C27 | C26 | C23 | O19 | 31.4° | 62.1° |
| C27 | C26 | H261 | H262 | 117.5° | 119.9° |
| C26 | C27 | H272 | H271 | 116.5° | 119.9° |
| C26 | C27 | O28 | H1 | 180.0° | 180.0° |
| O28 | C27 | C26 | H261 | 38.4° | 59.9° |
| O28 | C27 | C26 | H262 | 156.8° | 60.0° |
| O28 | C27 | H272 | H271 | 116.6° | 120.0° |
| C03 | C02 | C01 | H011 | 62.7° | 171.1° |
| C02 | C03 | H031 | H032 | 120.9° | 121.1° |
| C23 | O19 | C20 | H201 | 74.0° | 78.5° |
| O19 | C23 | C22 | H222 | 129.3° | 120.7° |
| O19 | C23 | C22 | H221 | 109.3° | 116.6° |
| O19 | C23 | C25 | H251 | 68.3° | 57.9° |
| O19 | C23 | C25 | H253 | 171.7° | 62.2° |
| O19 | C23 | C25 | H252 | 51.7° | 177.8° |
| O19 | C23 | C26 | H261 | 89.4° | 58.0° |
| O19 | C23 | C26 | H262 | 152.2° | 177.9° |
| H102 | C10 | C11 | H112 | 59.9° | 59.9° |
| H102 | C10 | C11 | H111 | 180.0° | 60.0° |
| H102 | C10 | C11 | H113 | 60.0° | 180.0° |
| H102 | C10 | C05 | H052 | 136.8° | 180.0° |
| H102 | C10 | C05 | H051 | 103.9° | 60.0° |
| H101 | C10 | C11 | H112 | 59.9° | 60.1° |
| H101 | C10 | C11 | H111 | 60.1° | 180.0° |
| H101 | C10 | C11 | H113 | 179.9° | 60.0° |
| H101 | C10 | C05 | H052 | 16.9° | 60.0° |
| H101 | C10 | C05 | H051 | 136.2° | 180.0° |
| H131 | C13 | C15 | H152 | 77.5° | 173.9° |
| H131 | C13 | C15 | H151 | 166.1° | 66.1° |
| H152 | C15 | C20 | H201 | 92.5° | 67.9° |
| H151 | C15 | C20 | H201 | 151.1° | 172.2° |
| H142 | C14 | H141 | H143 | 120.0° | 120.0° |
| H112 | C11 | H111 | H113 | 119.9° | 120.0° |
| H011 | C01 | C05 | H052 | 67.0° | 175.5° |
| H011 | C01 | C05 | H051 | 173.7° | 64.5° |
| H011 | C01 | C06 | H061 | 158.6° | 67.5° |
| H061 | C06 | C18 | H181 | 77.4° | 174.9° |
| H061 | C06 | C18 | H182 | 162.5° | 65.1° |
| H201 | C20 | C21 | H211 | 30.6° | 36.5° |
| H211 | C21 | C22 | H222 | 9.4° | 20.4° |
| H211 | C21 | C22 | H221 | 112.0° | 102.2° |
| H211 | C21 | C24 | H243 | 56.2° | 176.3° |
| H211 | C21 | C24 | H241 | 63.9° | 56.2° |
| H211 | C21 | C24 | H242 | 176.2° | 63.7° |
| H243 | C24 | H241 | H242 | 120.0° | 120.0° |
| H251 | C25 | H253 | H252 | 119.9° | 120.0° |
| H261 | C26 | C27 | H272 | 82.7° | 180.0° |
| H261 | C26 | C27 | H271 | 159.5° | 60.1° |
| H262 | C26 | C27 | H272 | 35.7° | 60.0° |
| H262 | C26 | C27 | H271 | 82.1° | NaN° |
| H272 | C27 | O28 | H1 | 58.9° | 60.0° |
| H271 | C27 | O28 | H1 | 58.9° | 60.0° |
