A1L9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.35Å | 1.32Å | |
| C02 | C03 | sing | 1.48Å | 1.39Å | |
| C03 | C04 | doub | 1.34Å | 1.38Å | |
| C04 | C05 | sing | 1.48Å | 1.38Å | |
| N01 | C05 | sing | 1.34Å | 1.32Å | |
| C02 | O06 | doub | 1.21Å | 1.18Å | |
| C05 | O07 | doub | 1.21Å | 1.19Å | |
| C08 | C09 | doub | 1.32Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.31Å | 1.46Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.44Å | Aromatic |
| C12 | C13 | doub | 1.32Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.45Å | Aromatic |
| C14 | C15 | doub | 1.31Å | 1.45Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.32Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.45Å | Aromatic |
| C18 | C19 | doub | 1.31Å | 1.44Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.31Å | 1.42Å | Aromatic |
| C08 | C21 | sing | 1.47Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.47Å | 1.43Å | Aromatic |
| C11 | C22 | sing | 1.47Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.31Å | 1.40Å | Aromatic |
| C14 | C23 | sing | 1.47Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.48Å | 1.41Å | Aromatic |
| N01 | C08 | sing | 1.35Å | 1.45Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 108.3° | 108.4° |
| C02 | N01 | C05 | 110.4° | 109.6° |
| N01 | C02 | O06 | 125.8° | 125.8° |
| C02 | N01 | C08 | 124.7° | 125.2° |
| C02 | C03 | C04 | 106.4° | 106.8° |
| C03 | C02 | O06 | 125.9° | 125.8° |
| C02 | C03 | H031 | 126.8° | 126.6° |
| C03 | C04 | C05 | 106.5° | 106.8° |
| C04 | C03 | H031 | 126.8° | 126.6° |
| C03 | C04 | H041 | 126.8° | 126.6° |
| C04 | C05 | N01 | 108.3° | 108.4° |
| C04 | C05 | O07 | 125.8° | 125.8° |
| C05 | C04 | H041 | 126.7° | 126.6° |
| N01 | C05 | O07 | 125.8° | 125.8° |
| C05 | N01 | C08 | 124.8° | 125.3° |
| C08 | C09 | C10 | 120.0° | 122.8° |
| C09 | C08 | C21 | 120.0° | 119.3° |
| C09 | C08 | N01 | 119.9° | 120.3° |
| C08 | C09 | H091 | 120.0° | 118.6° |
| C09 | C10 | C11 | 120.0° | 122.0° |
| C09 | C10 | H101 | 120.0° | 119.0° |
| C10 | C09 | H091 | 120.0° | 118.6° |
| C10 | C11 | C12 | 120.0° | 121.8° |
| C10 | C11 | C22 | 120.0° | 119.1° |
| C11 | C10 | H101 | 120.0° | 119.0° |
| C11 | C12 | C13 | 120.0° | 120.3° |
| C12 | C11 | C22 | 120.0° | 119.1° |
| C11 | C12 | H121 | 120.0° | 119.9° |
| C12 | C13 | C14 | 120.0° | 120.3° |
| C12 | C13 | H131 | 120.0° | 119.9° |
| C13 | C12 | H121 | 120.0° | 119.8° |
| C13 | C14 | C15 | 120.0° | 121.8° |
| C13 | C14 | C23 | 120.0° | 119.1° |
| C14 | C13 | H131 | 120.0° | 119.8° |
| C14 | C15 | C16 | 120.0° | 122.0° |
| C15 | C14 | C23 | 120.0° | 119.1° |
| C14 | C15 | H151 | 120.0° | 119.0° |
| C15 | C16 | C17 | 120.0° | 122.8° |
| C16 | C15 | H151 | 120.0° | 119.1° |
| C15 | C16 | H161 | 120.0° | 118.6° |
| C16 | C17 | C18 | 120.0° | 119.3° |
| C16 | C17 | H171 | 120.0° | 120.4° |
| C17 | C16 | H161 | 120.0° | 118.6° |
| C17 | C18 | C19 | 120.0° | 122.7° |
| C17 | C18 | C23 | 120.0° | 117.6° |
| C18 | C17 | H171 | 120.0° | 120.3° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C19 | C18 | C23 | 120.0° | 119.7° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | H201 | 120.0° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.0° |
| C20 | C21 | C08 | 120.0° | 122.6° |
| C20 | C21 | C22 | 120.0° | 119.7° |
| C21 | C20 | H201 | 120.0° | 120.0° |
| C08 | C21 | C22 | 120.0° | 117.7° |
| C21 | C08 | N01 | 120.0° | 120.4° |
| C21 | C22 | C11 | 120.0° | 119.2° |
| C21 | C22 | C23 | 120.0° | 120.3° |
| C11 | C22 | C23 | 120.0° | 120.6° |
| C22 | C23 | C14 | 120.0° | 120.6° |
| C22 | C23 | C18 | 120.0° | 120.2° |
| C14 | C23 | C18 | 120.0° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | O06 | 179.9° | 179.8° |
| N01 | C02 | C03 | C04 | 0.1° | 0.2° |
| C02 | N01 | C05 | C04 | 0.1° | 0.4° |
| C02 | N01 | C05 | C08 | 179.9° | 179.7° |
| C02 | N01 | C05 | O07 | 180.0° | 179.8° |
| C02 | N01 | C08 | C09 | 96.3° | 90.1° |
| C02 | N01 | C08 | C21 | 83.6° | 90.5° |
| N01 | C02 | C03 | H031 | 179.9° | 179.7° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | N01 | C05 | 0.1° | 0.4° |
| C03 | C02 | N01 | C08 | 180.0° | 179.9° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | N01 | 0.0° | 0.2° |
| C04 | C03 | C02 | O06 | 180.0° | 180.0° |
| C03 | C04 | C05 | O07 | 180.0° | 180.0° |
| C04 | C05 | N01 | O07 | 180.0° | 179.8° |
| C04 | C05 | N01 | C08 | 179.9° | 179.9° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C05 | N01 | C02 | O06 | 180.0° | 179.9° |
| C05 | N01 | C08 | C09 | 83.5° | 89.5° |
| C05 | N01 | C08 | C21 | 96.5° | 89.8° |
| N01 | C05 | C04 | H041 | 179.9° | 179.8° |
| O06 | C02 | N01 | C08 | 0.1° | 0.2° |
| O06 | C02 | C03 | H031 | 0.0° | 0.0° |
| O07 | C05 | N01 | C08 | 0.1° | 0.2° |
| O07 | C05 | C04 | H041 | 0.1° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C09 | C08 | C21 | C20 | 179.9° | 179.2° |
| C09 | C08 | C21 | N01 | 179.9° | 179.4° |
| C09 | C08 | C21 | C22 | 0.1° | 0.8° |
| C08 | C09 | C10 | H101 | 179.8° | 179.7° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 179.9° | 179.7° |
| C10 | C09 | C08 | C21 | 0.2° | 0.6° |
| C09 | C10 | C11 | C22 | 0.1° | 0.3° |
| C10 | C09 | C08 | N01 | 179.9° | 180.0° |
| C10 | C11 | C12 | C22 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 180.0° | 179.9° |
| C10 | C11 | C22 | C21 | 0.0° | 0.0° |
| C10 | C11 | C22 | C23 | 180.0° | 179.4° |
| C11 | C10 | C09 | H091 | 179.8° | 180.0° |
| C10 | C11 | C12 | H121 | 0.0° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C22 | C21 | 180.0° | 180.0° |
| C12 | C11 | C22 | C23 | 0.0° | 0.5° |
| C12 | C11 | C10 | H101 | 0.1° | 0.0° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C13 | C12 | C11 | C22 | 0.0° | 0.0° |
| C12 | C13 | C14 | C23 | 0.0° | 0.5° |
| C13 | C14 | C15 | C23 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C23 | C22 | 0.0° | 1.0° |
| C13 | C14 | C23 | C18 | 180.0° | 179.5° |
| C13 | C14 | C15 | H151 | 0.0° | 0.0° |
| C14 | C13 | C12 | H121 | 180.0° | 179.9° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C15 | C14 | C23 | C22 | 180.0° | 179.5° |
| C15 | C14 | C23 | C18 | 0.0° | 0.1° |
| C15 | C14 | C13 | H131 | 0.0° | 0.0° |
| C14 | C15 | C16 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 1.1° |
| C16 | C15 | C14 | C23 | 0.1° | 0.4° |
| C15 | C16 | C17 | H171 | 180.0° | 178.9° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C18 | C23 | 0.0° | 1.5° |
| C17 | C16 | C15 | H151 | 180.0° | 179.9° |
| C17 | C18 | C19 | C23 | 180.0° | 178.5° |
| C17 | C18 | C19 | C20 | 180.0° | 178.4° |
| C17 | C18 | C23 | C22 | 180.0° | 178.5° |
| C17 | C18 | C23 | C14 | 0.0° | 1.0° |
| C18 | C17 | C16 | H161 | 180.0° | 179.0° |
| C17 | C18 | C19 | H191 | 0.0° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 178.4° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C19 | C18 | C23 | C22 | 0.0° | 0.0° |
| C19 | C18 | C23 | C14 | 180.0° | 179.6° |
| C19 | C18 | C17 | H171 | 0.0° | 0.0° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.9° |
| C19 | C20 | C21 | C08 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | C18 | C23 | 0.0° | 0.1° |
| C20 | C21 | C08 | C22 | 180.0° | 180.0° |
| C20 | C21 | C22 | C11 | 180.0° | 179.5° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C08 | N01 | 0.0° | 0.2° |
| C21 | C20 | C19 | H191 | 179.9° | 178.5° |
| C08 | C21 | C22 | C11 | 0.0° | 0.5° |
| C08 | C21 | C22 | C23 | 180.0° | 180.0° |
| C08 | C21 | C20 | H201 | 0.0° | 0.1° |
| C21 | C08 | C09 | H091 | 179.8° | 179.4° |
| C21 | C22 | C11 | C23 | 179.9° | 179.5° |
| C21 | C22 | C23 | C14 | 180.0° | 179.5° |
| C21 | C22 | C23 | C18 | 0.0° | 0.0° |
| C22 | C21 | C08 | N01 | 180.0° | 179.8° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| C11 | C22 | C23 | C14 | 0.0° | 1.0° |
| C11 | C22 | C23 | C18 | 180.0° | 179.5° |
| C22 | C11 | C10 | H101 | 179.9° | 180.0° |
| C22 | C11 | C12 | H121 | 180.0° | 179.9° |
| C22 | C23 | C14 | C18 | 180.0° | 179.6° |
| C23 | C14 | C13 | H131 | 180.0° | 179.5° |
| C23 | C14 | C15 | H151 | 180.0° | 179.5° |
| C23 | C18 | C17 | H171 | 180.0° | 178.5° |
| C23 | C18 | C19 | H191 | 180.0° | 178.5° |
| N01 | C08 | C09 | H091 | 0.1° | 0.0° |
| H101 | C10 | C09 | H091 | 0.2° | 0.3° |
| H131 | C13 | C12 | H121 | 0.0° | 0.1° |
| H151 | C15 | C16 | H161 | 0.0° | 0.0° |
| H171 | C17 | C16 | H161 | 0.0° | 1.0° |
| H201 | C20 | C19 | H191 | 0.1° | 1.6° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
