A1A4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | S26 | doub | 1.42Å | 0.00Å | |
| C35 | S26 | sing | 1.81Å | 0.00Å | |
| S26 | O36 | doub | 1.42Å | 0.00Å | |
| S26 | C25 | sing | 1.81Å | 0.00Å | |
| C25 | C22 | sing | 1.53Å | 0.00Å | |
| C22 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | N20 | sing | 1.47Å | 0.00Å | |
| N20 | H1 | sing | 1.01Å | 0.00Å | |
| N20 | H2 | sing | 1.01Å | 0.00Å | |
| C21 | H4 | sing | 1.09Å | 0.00Å | |
| C21 | H5 | sing | 1.09Å | 0.00Å | |
| C25 | H6 | sing | 1.09Å | 0.00Å | |
| C25 | H7 | sing | 1.09Å | 0.00Å | |
| C35 | H8 | sing | 1.09Å | 0.00Å | |
| C35 | H9 | sing | 1.09Å | 0.00Å | |
| C35 | H10 | sing | 1.09Å | 0.00Å | |
| C22 | H11 | sing | 1.09Å | 0.00Å | |
| C22 | H12 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | S26 | C35 | 90.0° | 108.6° |
| O35 | S26 | O36 | 90.0° | 119.3° |
| O35 | S26 | C25 | 90.0° | 108.6° |
| C35 | S26 | O36 | 90.0° | 108.6° |
| C35 | S26 | C25 | 90.0° | 101.9° |
| S26 | C35 | H8 | 90.0° | 109.5° |
| S26 | C35 | H9 | 90.0° | 109.5° |
| S26 | C35 | H10 | 90.0° | 109.5° |
| O36 | S26 | C25 | 90.0° | 108.6° |
| S26 | C25 | C22 | 90.0° | 109.5° |
| S26 | C25 | H6 | 90.0° | 109.5° |
| S26 | C25 | H7 | 90.0° | 109.5° |
| C25 | C22 | C21 | 90.0° | 109.5° |
| C22 | C25 | H6 | 90.0° | 109.4° |
| C22 | C25 | H7 | 90.0° | 109.4° |
| C25 | C22 | H11 | 90.0° | 109.5° |
| C25 | C22 | H12 | 90.0° | 109.5° |
| C22 | C21 | N20 | 90.0° | 109.5° |
| C22 | C21 | H4 | 90.0° | 109.5° |
| C22 | C21 | H5 | 90.0° | 109.5° |
| C21 | C22 | H11 | 90.0° | 109.5° |
| C21 | C22 | H12 | 90.0° | 109.4° |
| C21 | N20 | H1 | 90.0° | 111.0° |
| C21 | N20 | H2 | 90.0° | 111.0° |
| N20 | C21 | H4 | 90.0° | 109.5° |
| N20 | C21 | H5 | 90.0° | 109.5° |
| H1 | N20 | H2 | 90.0° | 110.9° |
| H4 | C21 | H5 | 90.0° | 109.4° |
| H6 | C25 | H7 | 90.0° | 109.5° |
| H8 | C35 | H9 | 90.0° | 109.4° |
| H8 | C35 | H10 | 90.0° | 109.5° |
| H9 | C35 | H10 | 90.0° | 109.5° |
| H11 | C22 | H12 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | S26 | C35 | O36 | 90.0° | 131.0° |
| O35 | S26 | C35 | C25 | 90.0° | 114.5° |
| O35 | S26 | O36 | C25 | 90.0° | 125.0° |
| O35 | S26 | C25 | C22 | 90.0° | 65.5° |
| O35 | S26 | C25 | H6 | 90.0° | 174.5° |
| O35 | S26 | C25 | H7 | 90.0° | 54.4° |
| O35 | S26 | C35 | H8 | 90.0° | 65.5° |
| O35 | S26 | C35 | H9 | 90.0° | 54.4° |
| O35 | S26 | C35 | H10 | 90.0° | 174.5° |
| C35 | S26 | O36 | C25 | 90.0° | 110.0° |
| C35 | S26 | C25 | C22 | 90.0° | 180.0° |
| C35 | S26 | C25 | H6 | 90.0° | 60.0° |
| C35 | S26 | C25 | H7 | 90.0° | 60.0° |
| S26 | C35 | H8 | H9 | 90.0° | 120.0° |
| S26 | C35 | H8 | H10 | 90.0° | 120.0° |
| S26 | C35 | H9 | H10 | 90.0° | 120.1° |
| O36 | S26 | C25 | C22 | 90.0° | 65.5° |
| O36 | S26 | C25 | H6 | 90.0° | 54.4° |
| O36 | S26 | C25 | H7 | 90.0° | 174.5° |
| O36 | S26 | C35 | H8 | 90.0° | 65.5° |
| O36 | S26 | C35 | H9 | 90.0° | 174.5° |
| O36 | S26 | C35 | H10 | 90.0° | 54.5° |
| S26 | C25 | C22 | H6 | 90.0° | 120.0° |
| S26 | C25 | C22 | H7 | 90.0° | 120.0° |
| S26 | C25 | C22 | C21 | 90.0° | 180.0° |
| S26 | C25 | H6 | H7 | 90.0° | 120.0° |
| C25 | S26 | C35 | H8 | 90.0° | 180.0° |
| C25 | S26 | C35 | H9 | 90.0° | 60.0° |
| C25 | S26 | C35 | H10 | 90.0° | 60.0° |
| S26 | C25 | C22 | H11 | 90.0° | 60.0° |
| S26 | C25 | C22 | H12 | 90.0° | 60.0° |
| C25 | C22 | C21 | H11 | 90.0° | 120.0° |
| C25 | C22 | C21 | H12 | 90.0° | 120.0° |
| C25 | C22 | C21 | N20 | 90.0° | 180.0° |
| C25 | C22 | C21 | H4 | 90.0° | 59.9° |
| C25 | C22 | C21 | H5 | 90.0° | 60.0° |
| C22 | C25 | H6 | H7 | 90.0° | 120.0° |
| C25 | C22 | H11 | H12 | 90.0° | 120.0° |
| C22 | C21 | N20 | H4 | 90.0° | 120.1° |
| C22 | C21 | N20 | H5 | 90.0° | 120.0° |
| C22 | C21 | N20 | H1 | 90.0° | 56.1° |
| C22 | C21 | N20 | H2 | 90.0° | 179.9° |
| C22 | C21 | H4 | H5 | 90.0° | 120.0° |
| C21 | C22 | C25 | H6 | 90.0° | 60.0° |
| C21 | C22 | C25 | H7 | 90.0° | 60.0° |
| C21 | C22 | H11 | H12 | 90.0° | 119.9° |
| C21 | N20 | H1 | H2 | 90.0° | 123.9° |
| N20 | C21 | H4 | H5 | 90.0° | 119.9° |
| N20 | C21 | C22 | H11 | 90.0° | 60.0° |
| N20 | C21 | C22 | H12 | 90.0° | 60.0° |
| H1 | N20 | C21 | H4 | 90.0° | 176.1° |
| H1 | N20 | C21 | H5 | 90.0° | 63.9° |
| H2 | N20 | C21 | H4 | 90.0° | 60.0° |
| H2 | N20 | C21 | H5 | 90.0° | 59.9° |
| H4 | C21 | C22 | H11 | 90.0° | 180.0° |
| H4 | C21 | C22 | H12 | 90.0° | 60.1° |
| H5 | C21 | C22 | H11 | 90.0° | 60.0° |
| H5 | C21 | C22 | H12 | 90.0° | 179.9° |
| H6 | C25 | C22 | H11 | 90.0° | 60.0° |
| H6 | C25 | C22 | H12 | 90.0° | 180.0° |
| H7 | C25 | C22 | H11 | 90.0° | 180.0° |
| H7 | C25 | C22 | H12 | 90.0° | 60.0° |
| H8 | C35 | H9 | H10 | 90.0° | 119.9° |
