A1BIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| N09 | C08 | doub | 1.32Å | 1.34Å | Aromatic |
| N10 | N09 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.37Å | 1.31Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.42Å | 1.38Å | Aromatic |
| N16 | C15 | trip | 1.14Å | 1.13Å | |
| C15 | C14 | sing | 1.43Å | 1.53Å | |
| C17 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.53Å | |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C21 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.32Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| N10 | C17 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | 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 | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 120.2° | 119.9° |
| F01 | C02 | C05 | 119.7° | 119.9° |
| C04 | C03 | C02 | 119.8° | 120.1° |
| C03 | C04 | C07 | 120.1° | 119.9° |
| C04 | C03 | H031 | 120.1° | 120.0° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C03 | C02 | C05 | 120.1° | 120.2° |
| C02 | C03 | H031 | 120.1° | 120.0° |
| C02 | C05 | C06 | 120.3° | 120.1° |
| C02 | C05 | H051 | 119.9° | 119.9° |
| C05 | C06 | C07 | 119.7° | 119.9° |
| C06 | C05 | H051 | 119.9° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.1° |
| C06 | C07 | C04 | 120.1° | 119.8° |
| C07 | C06 | H061 | 120.1° | 120.1° |
| C07 | C08 | N09 | 125.3° | 125.7° |
| C08 | C07 | C04 | 119.8° | 120.1° |
| C07 | C08 | C18 | 126.6° | 125.7° |
| C08 | N09 | N10 | 107.6° | 109.3° |
| N09 | C08 | C18 | 108.1° | 108.6° |
| N09 | N10 | C11 | 109.8° | 108.0° |
| N09 | N10 | C17 | 128.1° | 131.8° |
| N10 | C11 | C12 | 118.8° | 120.5° |
| N10 | C11 | C18 | 107.6° | 107.1° |
| C11 | N10 | C17 | 122.1° | 120.2° |
| C12 | C13 | C14 | 119.5° | 119.4° |
| C13 | C12 | C11 | 120.2° | 119.6° |
| C12 | C13 | H131 | 120.2° | 120.3° |
| C13 | C12 | H121 | 119.9° | 120.2° |
| C13 | C14 | C15 | 121.2° | 120.0° |
| C13 | C14 | C17 | 119.2° | 119.9° |
| C14 | C13 | H131 | 120.2° | 120.3° |
| N16 | C15 | C14 | 179.0° | 180.0° |
| C15 | C14 | C17 | 119.6° | 120.0° |
| C14 | C17 | N10 | 120.1° | 120.4° |
| C14 | C17 | H171 | 119.9° | 119.8° |
| C12 | C11 | C18 | 133.6° | 132.4° |
| C11 | C12 | H121 | 119.9° | 120.2° |
| C11 | C18 | C19 | 126.6° | 126.5° |
| C11 | C18 | C08 | 107.0° | 107.0° |
| C18 | C19 | C20 | 120.4° | 120.9° |
| C19 | C18 | C08 | 126.4° | 126.5° |
| C18 | C19 | C24 | 120.8° | 120.9° |
| C19 | C20 | C21 | 118.6° | 119.0° |
| C20 | C19 | C24 | 118.7° | 118.2° |
| C19 | C20 | H201 | 120.7° | 120.5° |
| C20 | C21 | N22 | 121.5° | 121.0° |
| C21 | C20 | H201 | 120.7° | 120.5° |
| C20 | C21 | H211 | 119.3° | 119.5° |
| C21 | N22 | C23 | 121.2° | 122.0° |
| N22 | C21 | H211 | 119.2° | 119.5° |
| N22 | C23 | C24 | 121.2° | 120.9° |
| N22 | C23 | H231 | 119.4° | 119.6° |
| C23 | C24 | C19 | 118.8° | 119.0° |
| C23 | C24 | H241 | 120.6° | 120.5° |
| C24 | C23 | H231 | 119.4° | 119.5° |
| C07 | C04 | H041 | 120.0° | 120.1° |
| N10 | C17 | H171 | 119.9° | 119.8° |
| C19 | C24 | H241 | 120.6° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C04 | 179.9° | 179.9° |
| F01 | C02 | C03 | C05 | 179.8° | 179.7° |
| F01 | C02 | C05 | C06 | 179.9° | 180.0° |
| F01 | C02 | C03 | H031 | 0.1° | 0.0° |
| F01 | C02 | C05 | H051 | 0.0° | 0.1° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C05 | 0.1° | 0.2° |
| C03 | C04 | C07 | C06 | 0.1° | 0.4° |
| C03 | C04 | C07 | C08 | 179.7° | 179.9° |
| C03 | C04 | C07 | H041 | 180.0° | 179.9° |
| C03 | C02 | C05 | C06 | 0.3° | 0.2° |
| C02 | C03 | C04 | C07 | 0.0° | 0.1° |
| C02 | C03 | C04 | H041 | 180.0° | 180.0° |
| C03 | C02 | C05 | H051 | 179.7° | 179.8° |
| C02 | C05 | C06 | H051 | 180.0° | 180.0° |
| C02 | C05 | C06 | C07 | 0.3° | 0.0° |
| C05 | C02 | C03 | H031 | 179.9° | 179.8° |
| C02 | C05 | C06 | H061 | 179.7° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.5° | 180.0° |
| C05 | C06 | C07 | C04 | 0.2° | 0.3° |
| C06 | C07 | C08 | C04 | 179.8° | 179.7° |
| C06 | C07 | C08 | N09 | 123.8° | 139.0° |
| C06 | C07 | C08 | C18 | 56.5° | 41.7° |
| C06 | C07 | C04 | H041 | 179.9° | 179.8° |
| C07 | C06 | C05 | H051 | 179.7° | 179.9° |
| C07 | C08 | N09 | C18 | 179.7° | 179.4° |
| C07 | C08 | N09 | N10 | 179.8° | 179.6° |
| C07 | C08 | C18 | C11 | 179.9° | 180.0° |
| C07 | C08 | C18 | C19 | 0.5° | 0.0° |
| C08 | C07 | C04 | H041 | 0.3° | 0.1° |
| C08 | C07 | C06 | H061 | 0.5° | 0.0° |
| C08 | N09 | N10 | C11 | 0.1° | 1.0° |
| N09 | C08 | C18 | C11 | 0.2° | 0.5° |
| N09 | C08 | C18 | C19 | 179.8° | 179.4° |
| N09 | C08 | C07 | C04 | 56.4° | 40.7° |
| C08 | N09 | N10 | C17 | 180.0° | 179.7° |
| N09 | N10 | C11 | C17 | 179.9° | 179.4° |
| N09 | N10 | C17 | C14 | 179.9° | 179.5° |
| N09 | N10 | C11 | C12 | 179.9° | 180.0° |
| N09 | N10 | C11 | C18 | 0.2° | 0.6° |
| N10 | N09 | C08 | C18 | 0.1° | 0.9° |
| N09 | N10 | C17 | H171 | 0.1° | 0.5° |
| N10 | C11 | C12 | C13 | 0.0° | 0.5° |
| C11 | N10 | C17 | C14 | 0.0° | 0.3° |
| N10 | C11 | C12 | C18 | 179.8° | 179.2° |
| N10 | C11 | C18 | C19 | 179.9° | 180.0° |
| N10 | C11 | C18 | C08 | 0.3° | 0.1° |
| C11 | N10 | C17 | H171 | 180.0° | 179.7° |
| N10 | C11 | C12 | H121 | 180.0° | 179.5° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C12 | C13 | C14 | C17 | 0.0° | 0.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C18 | 179.8° | 179.8° |
| C13 | C14 | C15 | N16 | 176.7° | 127.9° |
| C13 | C14 | C15 | C17 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.2° |
| C13 | C14 | C17 | N10 | 0.0° | 0.0° |
| C13 | C14 | C17 | H171 | 180.0° | 180.0° |
| C14 | C13 | C12 | H121 | 180.0° | 179.8° |
| N16 | C15 | C14 | C17 | 3.4° | 52.0° |
| C15 | C14 | C17 | N10 | 179.9° | 180.0° |
| C15 | C14 | C13 | H131 | 0.1° | 0.2° |
| C15 | C14 | C17 | H171 | 0.1° | 0.0° |
| C14 | C17 | N10 | H171 | 180.0° | 180.0° |
| C17 | C14 | C13 | H131 | 180.0° | 179.7° |
| C12 | C11 | C18 | C19 | 0.3° | 0.7° |
| C12 | C11 | C18 | C08 | 179.9° | 179.4° |
| C12 | C11 | N10 | C17 | 0.0° | 0.6° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C11 | C18 | C19 | C08 | 179.5° | 179.9° |
| C11 | C18 | C19 | C20 | 53.0° | 113.6° |
| C18 | C11 | N10 | C17 | 179.8° | 180.0° |
| C11 | C18 | C19 | C24 | 126.9° | 66.5° |
| C18 | C11 | C12 | H121 | 0.2° | 0.3° |
| C18 | C19 | C20 | C24 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 179.9° | 179.7° |
| C18 | C19 | C24 | C23 | 180.0° | 179.4° |
| C18 | C19 | C20 | H201 | 0.0° | 0.1° |
| C18 | C19 | C24 | H241 | 0.0° | 0.1° |
| C19 | C20 | C21 | H201 | 180.0° | 179.6° |
| C19 | C20 | C21 | N22 | 0.0° | 0.1° |
| C20 | C19 | C24 | C23 | 0.2° | 0.6° |
| C20 | C19 | C18 | C08 | 126.5° | 66.3° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C20 | C19 | C24 | H241 | 179.8° | 180.0° |
| C20 | C21 | N22 | H211 | 180.0° | 179.9° |
| C20 | C21 | N22 | C23 | 0.2° | 0.1° |
| C21 | C20 | C19 | C24 | 0.2° | 0.4° |
| C21 | N22 | C23 | C24 | 0.3° | 0.4° |
| N22 | C21 | C20 | H201 | 180.0° | 179.7° |
| C21 | N22 | C23 | H231 | 179.7° | 179.7° |
| N22 | C23 | C24 | H231 | 180.0° | 180.0° |
| N22 | C23 | C24 | C19 | 0.0° | 0.6° |
| C23 | N22 | C21 | H211 | 179.7° | 180.0° |
| N22 | C23 | C24 | H241 | 180.0° | 180.0° |
| C23 | C24 | C19 | H241 | 180.0° | 179.4° |
| C04 | C07 | C08 | C18 | 123.2° | 138.6° |
| C07 | C04 | C03 | H031 | 180.0° | 180.0° |
| C04 | C07 | C06 | H061 | 179.8° | 179.7° |
| C08 | C18 | C19 | C24 | 53.6° | 113.6° |
| C24 | C19 | C20 | H201 | 179.8° | 180.0° |
| C19 | C24 | C23 | H231 | 180.0° | 179.4° |
| H131 | C13 | C12 | H121 | 0.0° | 0.0° |
| H201 | C20 | C21 | H211 | 0.1° | 0.4° |
| H241 | C24 | C23 | H231 | 0.0° | 0.1° |
| H031 | C03 | C04 | H041 | 0.0° | 0.1° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
