A1AT0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 0.00Å | |
| O02 | C03 | sing | 1.36Å | 0.00Å | |
| C03 | C08 | doub | 1.39Å | 0.00Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 0.00Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 0.00Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 0.00Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 0.00Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 0.00Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 0.00Å | |
| O11 | C10 | doub | 1.21Å | 0.00Å | |
| C09 | C10 | sing | 1.51Å | 0.00Å | |
| C09 | C18 | sing | 1.51Å | 0.00Å | |
| C10 | C12 | sing | 1.47Å | 0.00Å | |
| C18 | O19 | doub | 1.21Å | 0.00Å | |
| C18 | C17 | sing | 1.47Å | 0.00Å | |
| C12 | C17 | doub | 1.41Å | 0.00Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 0.00Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 0.00Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 0.00Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 0.00Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 0.00Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 0.00Å | |
| C01 | H2 | sing | 1.09Å | 0.00Å | |
| C01 | H3 | sing | 1.09Å | 0.00Å | |
| C04 | H4 | sing | 1.08Å | 0.00Å | |
| C05 | H5 | sing | 1.08Å | 0.00Å | |
| C07 | H6 | sing | 1.08Å | 0.00Å | |
| C08 | H7 | sing | 1.08Å | 0.00Å | |
| C09 | H8 | sing | 1.09Å | 0.00Å | |
| C13 | H9 | sing | 1.08Å | 0.00Å | |
| C14 | H10 | sing | 1.08Å | 0.00Å | |
| C15 | H11 | sing | 1.08Å | 0.00Å | |
| C16 | H12 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 90.0° | 117.0° |
| O02 | C01 | H1 | 90.0° | 109.5° |
| O02 | C01 | H2 | 90.0° | 109.5° |
| O02 | C01 | H3 | 90.0° | 109.5° |
| O02 | C03 | C08 | 90.0° | 120.0° |
| O02 | C03 | C04 | 90.0° | 120.1° |
| C08 | C03 | C04 | 90.0° | 119.9° |
| C03 | C08 | C07 | 90.0° | 119.9° |
| C03 | C08 | H7 | 90.0° | 120.1° |
| C03 | C04 | C05 | 90.0° | 119.9° |
| C03 | C04 | H4 | 90.0° | 120.0° |
| C08 | C07 | C06 | 90.0° | 120.1° |
| C08 | C07 | H6 | 90.0° | 120.0° |
| C07 | C08 | H7 | 90.0° | 120.0° |
| C04 | C05 | C06 | 90.0° | 120.0° |
| C05 | C04 | H4 | 90.0° | 120.0° |
| C04 | C05 | H5 | 90.0° | 120.0° |
| C07 | C06 | C05 | 90.0° | 120.1° |
| C07 | C06 | C09 | 90.0° | 119.9° |
| C06 | C07 | H6 | 90.0° | 120.0° |
| C05 | C06 | C09 | 90.0° | 120.0° |
| C06 | C05 | H5 | 90.0° | 120.0° |
| C06 | C09 | C10 | 90.0° | 110.2° |
| C06 | C09 | C18 | 90.0° | 110.2° |
| C06 | C09 | H8 | 90.0° | 110.2° |
| O11 | C10 | C09 | 90.0° | 126.3° |
| O11 | C10 | C12 | 90.0° | 126.4° |
| C10 | C09 | C18 | 90.0° | 105.7° |
| C09 | C10 | C12 | 90.0° | 107.3° |
| C10 | C09 | H8 | 90.0° | 110.2° |
| C09 | C18 | O19 | 90.0° | 126.3° |
| C09 | C18 | C17 | 90.0° | 107.3° |
| C18 | C09 | H8 | 90.0° | 110.2° |
| C10 | C12 | C17 | 90.0° | 109.8° |
| C10 | C12 | C13 | 90.0° | 130.7° |
| O19 | C18 | C17 | 90.0° | 126.4° |
| C18 | C17 | C12 | 90.0° | 109.9° |
| C18 | C17 | C16 | 90.0° | 130.6° |
| C17 | C12 | C13 | 90.0° | 119.5° |
| C12 | C17 | C16 | 90.0° | 119.5° |
| C12 | C13 | C14 | 90.0° | 120.1° |
| C12 | C13 | H9 | 90.0° | 119.9° |
| C17 | C16 | C15 | 90.0° | 120.0° |
| C17 | C16 | H12 | 90.0° | 120.0° |
| C13 | C14 | C15 | 90.0° | 120.4° |
| C14 | C13 | H9 | 90.0° | 120.0° |
| C13 | C14 | H10 | 90.0° | 119.8° |
| C16 | C15 | C14 | 90.0° | 120.4° |
| C16 | C15 | H11 | 90.0° | 119.8° |
| C15 | C16 | H12 | 90.0° | 120.0° |
| C15 | C14 | H10 | 90.0° | 119.7° |
| C14 | C15 | H11 | 90.0° | 119.8° |
| H1 | C01 | H2 | 90.0° | 109.5° |
| H1 | C01 | H3 | 90.0° | 109.4° |
| H2 | C01 | H3 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C08 | 90.0° | 180.0° |
| C01 | O02 | C03 | C04 | 90.0° | 0.3° |
| O02 | C01 | H1 | H2 | 90.0° | 120.1° |
| O02 | C01 | H1 | H3 | 90.0° | 120.0° |
| O02 | C01 | H2 | H3 | 90.0° | 120.0° |
| O02 | C03 | C08 | C04 | 90.0° | 179.7° |
| O02 | C03 | C08 | C07 | 90.0° | 179.7° |
| O02 | C03 | C04 | C05 | 90.0° | 179.7° |
| C03 | O02 | C01 | H1 | 90.0° | 179.9° |
| C03 | O02 | C01 | H2 | 90.0° | 59.9° |
| C03 | O02 | C01 | H3 | 90.0° | 60.0° |
| O02 | C03 | C04 | H4 | 90.0° | 0.3° |
| O02 | C03 | C08 | H7 | 90.0° | 0.3° |
| C03 | C08 | C07 | H7 | 90.0° | 180.0° |
| C08 | C03 | C04 | C05 | 90.0° | 0.0° |
| C03 | C08 | C07 | C06 | 90.0° | 0.1° |
| C08 | C03 | C04 | H4 | 90.0° | 180.0° |
| C03 | C08 | C07 | H6 | 90.0° | 180.0° |
| C04 | C03 | C08 | C07 | 90.0° | 0.1° |
| C03 | C04 | C05 | H4 | 90.0° | 180.0° |
| C03 | C04 | C05 | C06 | 90.0° | 0.0° |
| C03 | C04 | C05 | H5 | 90.0° | 180.0° |
| C04 | C03 | C08 | H7 | 90.0° | 180.0° |
| C08 | C07 | C06 | H6 | 90.0° | 180.0° |
| C08 | C07 | C06 | C05 | 90.0° | 0.1° |
| C08 | C07 | C06 | C09 | 90.0° | 180.0° |
| C04 | C05 | C06 | C07 | 90.0° | 0.0° |
| C04 | C05 | C06 | H5 | 90.0° | 180.0° |
| C04 | C05 | C06 | C09 | 90.0° | 180.0° |
| C07 | C06 | C05 | C09 | 90.0° | 180.0° |
| C07 | C06 | C09 | C10 | 90.0° | 60.0° |
| C07 | C06 | C09 | C18 | 90.0° | 56.3° |
| C07 | C06 | C05 | H5 | 90.0° | 180.0° |
| C06 | C07 | C08 | H7 | 90.0° | 180.0° |
| C07 | C06 | C09 | H8 | 90.0° | 178.2° |
| C05 | C06 | C09 | C10 | 90.0° | 120.0° |
| C05 | C06 | C09 | C18 | 90.0° | 123.7° |
| C06 | C05 | C04 | H4 | 90.0° | 180.0° |
| C05 | C06 | C07 | H6 | 90.0° | 180.0° |
| C05 | C06 | C09 | H8 | 90.0° | 1.8° |
| C06 | C09 | C10 | O11 | 90.0° | 60.9° |
| C06 | C09 | C10 | C18 | 90.0° | 119.1° |
| C06 | C09 | C10 | H8 | 90.0° | 121.8° |
| C06 | C09 | C18 | H8 | 90.0° | 121.9° |
| C06 | C09 | C10 | C12 | 90.0° | 119.1° |
| C06 | C09 | C18 | O19 | 90.0° | 60.8° |
| C06 | C09 | C18 | C17 | 90.0° | 119.1° |
| C09 | C06 | C05 | H5 | 90.0° | 0.0° |
| C09 | C06 | C07 | H6 | 90.0° | 0.0° |
| O11 | C10 | C09 | C12 | 90.0° | 180.0° |
| O11 | C10 | C09 | C18 | 90.0° | 180.0° |
| O11 | C10 | C12 | C17 | 90.0° | 180.0° |
| O11 | C10 | C12 | C13 | 90.0° | 0.0° |
| O11 | C10 | C09 | H8 | 90.0° | 60.9° |
| C10 | C09 | C18 | H8 | 90.0° | 119.1° |
| C10 | C09 | C18 | O19 | 90.0° | 179.9° |
| C10 | C09 | C18 | C17 | 90.0° | 0.0° |
| C09 | C10 | C12 | C17 | 90.0° | 0.0° |
| C09 | C10 | C12 | C13 | 90.0° | 180.0° |
| C18 | C09 | C10 | C12 | 90.0° | 0.0° |
| C09 | C18 | O19 | C17 | 90.0° | 179.9° |
| C09 | C18 | C17 | C12 | 90.0° | 0.0° |
| C09 | C18 | C17 | C16 | 90.0° | 180.0° |
| C10 | C12 | C17 | C18 | 90.0° | 0.0° |
| C10 | C12 | C17 | C13 | 90.0° | 180.0° |
| C10 | C12 | C17 | C16 | 90.0° | 180.0° |
| C10 | C12 | C13 | C14 | 90.0° | 180.0° |
| C12 | C10 | C09 | H8 | 90.0° | 119.1° |
| C10 | C12 | C13 | H9 | 90.0° | 0.0° |
| O19 | C18 | C17 | C12 | 90.0° | 179.9° |
| O19 | C18 | C17 | C16 | 90.0° | 0.1° |
| O19 | C18 | C09 | H8 | 90.0° | 61.0° |
| C18 | C17 | C12 | C16 | 90.0° | 180.0° |
| C18 | C17 | C12 | C13 | 90.0° | 180.0° |
| C18 | C17 | C16 | C15 | 90.0° | 180.0° |
| C17 | C18 | C09 | H8 | 90.0° | 119.1° |
| C18 | C17 | C16 | H12 | 90.0° | 0.0° |
| C17 | C12 | C13 | C14 | 90.0° | 0.0° |
| C12 | C17 | C16 | C15 | 90.0° | 0.0° |
| C17 | C12 | C13 | H9 | 90.0° | 180.0° |
| C12 | C17 | C16 | H12 | 90.0° | 180.0° |
| C13 | C12 | C17 | C16 | 90.0° | 0.0° |
| C12 | C13 | C14 | H9 | 90.0° | 180.0° |
| C12 | C13 | C14 | C15 | 90.0° | 0.1° |
| C12 | C13 | C14 | H10 | 90.0° | 180.0° |
| C17 | C16 | C15 | H12 | 90.0° | 180.0° |
| C17 | C16 | C15 | C14 | 90.0° | 0.1° |
| C17 | C16 | C15 | H11 | 90.0° | 180.0° |
| C13 | C14 | C15 | C16 | 90.0° | 0.1° |
| C13 | C14 | C15 | H10 | 90.0° | 179.9° |
| C13 | C14 | C15 | H11 | 90.0° | 180.0° |
| C16 | C15 | C14 | H11 | 90.0° | 179.9° |
| C16 | C15 | C14 | H10 | 90.0° | 180.0° |
| C15 | C14 | C13 | H9 | 90.0° | 180.0° |
| C14 | C15 | C16 | H12 | 90.0° | 180.0° |
| H1 | C01 | H2 | H3 | 90.0° | 119.9° |
| H4 | C04 | C05 | H5 | 90.0° | 0.0° |
| H6 | C07 | C08 | H7 | 90.0° | 0.0° |
| H9 | C13 | C14 | H10 | 90.0° | 0.0° |
| H10 | C14 | C15 | H11 | 90.0° | 0.1° |
| H11 | C15 | C16 | H12 | 90.0° | 0.0° |
