A1LYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C03 | C02 | sing | 1.48Å | 1.45Å | |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.43Å | Aromatic |
| O09 | C08 | sing | 1.35Å | 1.50Å | |
| C10 | O09 | sing | 1.35Å | 1.49Å | |
| C11 | C10 | doub | 1.40Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | O14 | sing | 1.43Å | 1.41Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| N17 | C16 | sing | 1.47Å | 1.47Å | |
| C18 | N17 | sing | 1.47Å | 1.45Å | |
| C19 | N17 | sing | 1.47Å | 1.45Å | |
| O14 | C13 | sing | 1.36Å | 1.41Å | |
| C20 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C11 | sing | 1.48Å | 1.46Å | |
| C03 | C08 | sing | 1.41Å | 1.36Å | Aromatic |
| C10 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 119.1° | 122.1° |
| O01 | C02 | C11 | 120.6° | 122.1° |
| C02 | C03 | C04 | 119.5° | 121.1° |
| C03 | C02 | C11 | 120.3° | 115.8° |
| C02 | C03 | C08 | 120.4° | 118.4° |
| C03 | C04 | C05 | 119.7° | 119.6° |
| C04 | C03 | C08 | 120.1° | 120.5° |
| C03 | C04 | H041 | 120.2° | 120.2° |
| C04 | C05 | C06 | 120.6° | 120.1° |
| C05 | C04 | H041 | 120.2° | 120.2° |
| C04 | C05 | H051 | 119.7° | 119.9° |
| C05 | C06 | C07 | 119.2° | 120.8° |
| C06 | C05 | H051 | 119.7° | 120.0° |
| C05 | C06 | H061 | 120.4° | 119.6° |
| C06 | C07 | C08 | 120.3° | 120.2° |
| C07 | C06 | H061 | 120.4° | 119.6° |
| C06 | C07 | H071 | 119.8° | 119.9° |
| C07 | C08 | O09 | 118.7° | 120.1° |
| C07 | C08 | C03 | 120.1° | 118.8° |
| C08 | C07 | H071 | 119.8° | 119.9° |
| C08 | O09 | C10 | 116.4° | 122.0° |
| O09 | C08 | C03 | 121.2° | 121.1° |
| O09 | C10 | C11 | 121.2° | 121.1° |
| O09 | C10 | C21 | 118.2° | 119.9° |
| C10 | C11 | C12 | 119.6° | 120.5° |
| C10 | C11 | C02 | 120.5° | 118.5° |
| C11 | C10 | C21 | 120.6° | 119.0° |
| C11 | C12 | C13 | 120.2° | 119.6° |
| C12 | C11 | C02 | 119.9° | 121.0° |
| C11 | C12 | H121 | 119.9° | 120.2° |
| C12 | C13 | O14 | 121.2° | 120.0° |
| C12 | C13 | C20 | 119.8° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.2° |
| O14 | C15 | C16 | 112.9° | 109.5° |
| C15 | O14 | C13 | 116.4° | 117.0° |
| O14 | C15 | H151 | 108.6° | 109.5° |
| O14 | C15 | H152 | 108.6° | 109.4° |
| C15 | C16 | N17 | 115.2° | 109.5° |
| C16 | C15 | H151 | 108.6° | 109.5° |
| C16 | C15 | H152 | 108.6° | 109.5° |
| C15 | C16 | H161 | 108.0° | 109.5° |
| C15 | C16 | H162 | 108.0° | 109.5° |
| C16 | N17 | C18 | 112.6° | 111.0° |
| C16 | N17 | C19 | 109.6° | 111.1° |
| N17 | C16 | H161 | 108.0° | 109.4° |
| N17 | C16 | H162 | 108.0° | 109.5° |
| C18 | N17 | C19 | 108.1° | 111.0° |
| N17 | C18 | H181 | 109.5° | 109.5° |
| N17 | C18 | H183 | 109.5° | 109.5° |
| N17 | C18 | H182 | 109.5° | 109.5° |
| N17 | C19 | H193 | 109.5° | 109.4° |
| N17 | C19 | H191 | 109.5° | 109.4° |
| N17 | C19 | H192 | 109.5° | 109.5° |
| O14 | C13 | C20 | 119.0° | 120.0° |
| C13 | C20 | C21 | 119.8° | 120.8° |
| C13 | C20 | H201 | 120.1° | 119.6° |
| C20 | C21 | C10 | 120.0° | 120.2° |
| C21 | C20 | H201 | 120.1° | 119.6° |
| C20 | C21 | H211 | 120.0° | 119.9° |
| C10 | C21 | H211 | 120.0° | 119.9° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C11 | 179.6° | 180.0° |
| O01 | C02 | C03 | C04 | 0.3° | 12.9° |
| O01 | C02 | C11 | C10 | 179.5° | 167.0° |
| O01 | C02 | C11 | C12 | 0.0° | 13.0° |
| O01 | C02 | C03 | C08 | 179.5° | 167.4° |
| C02 | C03 | C04 | C08 | 179.8° | 179.7° |
| C02 | C03 | C04 | C05 | 179.8° | 179.7° |
| C02 | C03 | C08 | C07 | 179.3° | 179.8° |
| C02 | C03 | C08 | O09 | 0.2° | 1.2° |
| C03 | C02 | C11 | C10 | 0.0° | 13.0° |
| C03 | C02 | C11 | C12 | 179.6° | 167.0° |
| C02 | C03 | C04 | H041 | 0.2° | 0.3° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C03 | C08 | C07 | 0.5° | 0.1° |
| C04 | C03 | C08 | O09 | 179.9° | 179.1° |
| C04 | C03 | C02 | C11 | 179.8° | 167.1° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.3° | 0.2° |
| C05 | C04 | C03 | C08 | 0.0° | 0.0° |
| C04 | C05 | C06 | H061 | 179.8° | 179.9° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.7° | 0.2° |
| C06 | C05 | C04 | H041 | 179.8° | 180.0° |
| C05 | C06 | C07 | H071 | 179.2° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.8° |
| C06 | C07 | C08 | O09 | 179.7° | 179.2° |
| C06 | C07 | C08 | C03 | 0.9° | 0.1° |
| C07 | C06 | C05 | H051 | 179.7° | 179.9° |
| C07 | C08 | O09 | C03 | 179.5° | 179.0° |
| C07 | C08 | O09 | C10 | 179.3° | 164.9° |
| C08 | C07 | C06 | H061 | 179.3° | 179.8° |
| C08 | O09 | C10 | C11 | 0.2° | 15.7° |
| C08 | O09 | C10 | C21 | 179.7° | 164.6° |
| O09 | C08 | C07 | H071 | 0.4° | 1.1° |
| O09 | C10 | C11 | C21 | 179.9° | 179.7° |
| O09 | C10 | C11 | C12 | 179.6° | 179.6° |
| O09 | C10 | C21 | C20 | 179.5° | 179.7° |
| O09 | C10 | C11 | C02 | 0.1° | 0.5° |
| C10 | O09 | C08 | C03 | 0.2° | 16.1° |
| O09 | C10 | C21 | H211 | 0.5° | 0.3° |
| C10 | C11 | C12 | C02 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.2° |
| C11 | C10 | C21 | C20 | 0.4° | 0.0° |
| C11 | C10 | C21 | H211 | 179.6° | 179.9° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.8° |
| C11 | C12 | C13 | O14 | 179.9° | 180.0° |
| C11 | C12 | C13 | C20 | 0.3° | 0.2° |
| C12 | C11 | C10 | C21 | 0.2° | 0.1° |
| C12 | C13 | O14 | C15 | 38.6° | 180.0° |
| C12 | C13 | O14 | C20 | 179.8° | 179.9° |
| C12 | C13 | C20 | C21 | 0.2° | 0.0° |
| C13 | C12 | C11 | C02 | 179.5° | 179.8° |
| C12 | C13 | C20 | H201 | 179.8° | 179.8° |
| O14 | C15 | C16 | H151 | 120.5° | 120.0° |
| O14 | C15 | C16 | H152 | 120.5° | 120.0° |
| O14 | C15 | C16 | N17 | 26.9° | 65.0° |
| C15 | O14 | C13 | C20 | 141.2° | 0.1° |
| O14 | C15 | H151 | H152 | 118.4° | 119.9° |
| O14 | C15 | C16 | H161 | 93.9° | 175.0° |
| O14 | C15 | C16 | H162 | 147.8° | 55.0° |
| C15 | C16 | N17 | H161 | 120.8° | 120.0° |
| C15 | C16 | N17 | H162 | 120.8° | 120.0° |
| C15 | C16 | N17 | C18 | 64.0° | 66.0° |
| C15 | C16 | N17 | C19 | 175.5° | 170.0° |
| C16 | C15 | O14 | C13 | 160.3° | 180.0° |
| C16 | C15 | H151 | H152 | 118.5° | 120.0° |
| C15 | C16 | H161 | H162 | 117.4° | 120.0° |
| C16 | N17 | C18 | C19 | 121.3° | 124.0° |
| N17 | C16 | C15 | H151 | 147.4° | 175.0° |
| N17 | C16 | C15 | H152 | 93.6° | 55.0° |
| N17 | C16 | H161 | H162 | 117.4° | 120.0° |
| C16 | N17 | C18 | H181 | 180.0° | 176.0° |
| C16 | N17 | C18 | H183 | 60.0° | 56.0° |
| C16 | N17 | C18 | H182 | 60.0° | 64.0° |
| C16 | N17 | C19 | H193 | 180.0° | 60.0° |
| C16 | N17 | C19 | H191 | 60.0° | 60.0° |
| C16 | N17 | C19 | H192 | 60.0° | 180.0° |
| C18 | N17 | C16 | H161 | 175.2° | 54.0° |
| C18 | N17 | C16 | H162 | 56.8° | 174.0° |
| N17 | C18 | H181 | H183 | 120.0° | 120.0° |
| N17 | C18 | H181 | H182 | 120.0° | 120.0° |
| N17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C18 | N17 | C19 | H193 | 56.8° | 64.0° |
| C18 | N17 | C19 | H191 | 176.9° | 176.0° |
| C18 | N17 | C19 | H192 | 63.2° | 56.1° |
| C19 | N17 | C16 | H161 | 54.7° | 70.0° |
| C19 | N17 | C16 | H162 | 63.6° | 50.0° |
| C19 | N17 | C18 | H181 | 58.7° | 60.0° |
| C19 | N17 | C18 | H183 | 61.3° | 180.0° |
| C19 | N17 | C18 | H182 | 178.7° | 60.1° |
| N17 | C19 | H193 | H191 | 120.0° | 119.9° |
| N17 | C19 | H193 | H192 | 120.0° | 120.0° |
| N17 | C19 | H191 | H192 | 120.0° | 120.0° |
| O14 | C13 | C20 | C21 | 180.0° | 179.9° |
| C13 | O14 | C15 | H151 | 39.8° | 59.9° |
| C13 | O14 | C15 | H152 | 79.2° | 60.0° |
| O14 | C13 | C20 | H201 | 0.0° | 0.3° |
| O14 | C13 | C12 | H121 | 0.1° | 0.1° |
| C13 | C20 | C21 | H201 | 180.0° | 179.8° |
| C13 | C20 | C21 | C10 | 0.1° | 0.0° |
| C13 | C20 | C21 | H211 | 179.9° | 180.0° |
| C20 | C13 | C12 | H121 | 179.7° | 180.0° |
| C20 | C21 | C10 | H211 | 180.0° | 180.0° |
| C11 | C02 | C03 | C08 | 0.1° | 12.6° |
| C02 | C11 | C10 | C21 | 179.8° | 179.8° |
| C02 | C11 | C12 | H121 | 0.5° | 0.1° |
| C08 | C03 | C04 | H041 | 180.0° | 180.0° |
| C03 | C08 | C07 | H071 | 179.1° | 179.9° |
| C10 | C21 | C20 | H201 | 179.9° | 179.8° |
| H151 | C15 | C16 | H161 | 26.6° | 55.0° |
| H151 | C15 | C16 | H162 | 91.7° | 65.0° |
| H152 | C15 | C16 | H161 | 145.6° | 65.0° |
| H152 | C15 | C16 | H162 | 27.3° | 175.0° |
| H201 | C20 | C21 | H211 | 0.1° | 0.2° |
| H041 | C04 | C05 | H051 | 0.1° | 0.1° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
| H061 | C06 | C07 | H071 | 0.7° | 0.1° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H193 | C19 | H191 | H192 | 120.0° | 120.1° |
