A1AVN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| S04 | C03 | sing | 1.81Å | 1.82Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C05 | C02 | sing | 1.47Å | 1.53Å | |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| N10 | C09 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C11 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| N10 | H102 | sing | 1.01Å | 1.00Å | |
| N10 | H1 | sing | 1.01Å | 1.00Å | |
| S04 | H041 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.2° | 120.0° |
| O01 | C02 | C05 | 121.0° | 120.0° |
| S04 | C03 | C02 | 111.3° | 109.5° |
| S04 | C03 | H031 | 109.0° | 109.5° |
| S04 | C03 | H032 | 109.0° | 109.4° |
| C03 | S04 | H041 | 102.0° | 103.0° |
| C03 | C02 | C05 | 118.8° | 120.0° |
| C02 | C03 | H031 | 109.0° | 109.5° |
| C02 | C03 | H032 | 109.0° | 109.5° |
| C02 | C05 | C06 | 121.2° | 120.2° |
| C02 | C05 | C13 | 119.0° | 120.1° |
| C05 | C06 | C07 | 119.6° | 119.9° |
| C06 | C05 | C13 | 119.8° | 119.7° |
| C05 | C06 | H061 | 120.2° | 120.1° |
| C06 | C07 | C08 | 120.2° | 120.0° |
| C06 | C07 | C11 | 120.5° | 120.1° |
| C07 | C06 | H061 | 120.2° | 120.0° |
| C08 | C09 | N10 | 109.5° | 109.5° |
| C09 | C08 | C07 | 113.7° | 109.4° |
| C09 | C08 | H082 | 108.4° | 109.5° |
| C09 | C08 | H081 | 108.4° | 109.5° |
| C08 | C09 | H092 | 109.5° | 109.5° |
| C08 | C09 | H091 | 109.5° | 109.4° |
| N10 | C09 | H092 | 109.4° | 109.5° |
| N10 | C09 | H091 | 109.5° | 109.5° |
| C09 | N10 | H102 | 109.5° | 111.0° |
| C09 | N10 | H1 | 109.5° | 111.0° |
| C08 | C07 | C11 | 119.3° | 119.9° |
| C07 | C08 | H082 | 108.4° | 109.5° |
| C07 | C08 | H081 | 108.4° | 109.4° |
| C07 | C11 | C12 | 119.6° | 120.3° |
| C07 | C11 | H111 | 120.2° | 119.8° |
| C11 | C12 | C13 | 120.1° | 120.2° |
| C12 | C11 | H111 | 120.2° | 119.8° |
| C11 | C12 | H121 | 120.0° | 119.9° |
| C12 | C13 | C05 | 120.3° | 119.8° |
| C13 | C12 | H121 | 119.9° | 119.9° |
| C12 | C13 | H131 | 119.8° | 120.1° |
| C05 | C13 | H131 | 119.9° | 120.1° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H102 | N10 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | S04 | 40.3° | 0.0° |
| O01 | C02 | C03 | C05 | 179.9° | 179.8° |
| O01 | C02 | C05 | C06 | 1.2° | 0.3° |
| O01 | C02 | C05 | C13 | 178.7° | 180.0° |
| O01 | C02 | C03 | H031 | 80.0° | 120.1° |
| O01 | C02 | C03 | H032 | 160.6° | 120.0° |
| S04 | C03 | C02 | H031 | 120.3° | 120.1° |
| S04 | C03 | C02 | H032 | 120.3° | 120.0° |
| S04 | C03 | C02 | C05 | 139.8° | 179.7° |
| S04 | C03 | H031 | H032 | 119.2° | 120.0° |
| C03 | C02 | C05 | C06 | 178.9° | 180.0° |
| C03 | C02 | C05 | C13 | 1.2° | 0.3° |
| C02 | C03 | H031 | H032 | 119.2° | 120.0° |
| C02 | C03 | S04 | H041 | 180.0° | 180.0° |
| C02 | C05 | C06 | C13 | 179.9° | 179.7° |
| C02 | C05 | C06 | C07 | 180.0° | 180.0° |
| C02 | C05 | C13 | C12 | 179.9° | 179.8° |
| C05 | C02 | C03 | H031 | 99.9° | 59.7° |
| C05 | C02 | C03 | H032 | 19.5° | 60.3° |
| C02 | C05 | C06 | H061 | 0.0° | 0.1° |
| C02 | C05 | C13 | H131 | 0.1° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.4° | 179.9° |
| C05 | C06 | C07 | C11 | 0.2° | 0.0° |
| C06 | C05 | C13 | C12 | 0.2° | 0.5° |
| C06 | C05 | C13 | H131 | 179.9° | 179.7° |
| C06 | C07 | C08 | C09 | 85.3° | 90.0° |
| C06 | C07 | C08 | C11 | 179.2° | 180.0° |
| C06 | C07 | C11 | C12 | 0.3° | 0.0° |
| C07 | C06 | C05 | C13 | 0.0° | 0.3° |
| C06 | C07 | C08 | H082 | 35.3° | 150.0° |
| C06 | C07 | C08 | H081 | 154.1° | 29.9° |
| C06 | C07 | C11 | H111 | 179.7° | 180.0° |
| C08 | C09 | N10 | H092 | 120.0° | 120.0° |
| C08 | C09 | N10 | H091 | 120.0° | 120.0° |
| C09 | C08 | C07 | H082 | 120.6° | 120.0° |
| C09 | C08 | C07 | H081 | 120.6° | 120.0° |
| C09 | C08 | C07 | C11 | 95.5° | 90.0° |
| C09 | C08 | H082 | H081 | 118.1° | 120.0° |
| C08 | C09 | H092 | H091 | 120.0° | 120.0° |
| C08 | C09 | N10 | H102 | 180.0° | 56.1° |
| C08 | C09 | N10 | H1 | 60.0° | 180.0° |
| N10 | C09 | C08 | C07 | 159.0° | 180.0° |
| N10 | C09 | C08 | H082 | 38.4° | 60.0° |
| N10 | C09 | C08 | H081 | 80.4° | 60.1° |
| N10 | C09 | H092 | H091 | 120.0° | 120.0° |
| C09 | N10 | H102 | H1 | 120.0° | 124.0° |
| C08 | C07 | C11 | C12 | 179.5° | 180.0° |
| C08 | C07 | C06 | H061 | 0.6° | 0.0° |
| C07 | C08 | H082 | H081 | 118.1° | 120.0° |
| C07 | C08 | C09 | H092 | 39.0° | 60.0° |
| C07 | C08 | C09 | H091 | 81.0° | 60.0° |
| C08 | C07 | C11 | H111 | 0.5° | 0.0° |
| C07 | C11 | C12 | H111 | 180.0° | 180.0° |
| C07 | C11 | C12 | C13 | 0.1° | 0.2° |
| C11 | C07 | C06 | H061 | 179.8° | 180.0° |
| C11 | C07 | C08 | H082 | 143.9° | 30.0° |
| C11 | C07 | C08 | H081 | 25.1° | 150.0° |
| C07 | C11 | C12 | H121 | 179.9° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.8° |
| C11 | C12 | C13 | C05 | 0.1° | 0.5° |
| C11 | C12 | C13 | H131 | 179.9° | 179.7° |
| C12 | C13 | C05 | H131 | 180.0° | 179.8° |
| C13 | C12 | C11 | H111 | 179.8° | 179.8° |
| C13 | C05 | C06 | H061 | 180.0° | 179.8° |
| C05 | C13 | C12 | H121 | 179.9° | 179.7° |
| H031 | C03 | S04 | H041 | 59.8° | 60.0° |
| H032 | C03 | S04 | H041 | 59.7° | 60.0° |
| H082 | C08 | C09 | H092 | 81.6° | 180.0° |
| H082 | C08 | C09 | H091 | 158.4° | 60.0° |
| H081 | C08 | C09 | H092 | 159.6° | 60.0° |
| H081 | C08 | C09 | H091 | 39.6° | 179.9° |
| H092 | C09 | N10 | H102 | 60.0° | 64.0° |
| H092 | C09 | N10 | H1 | 180.0° | 60.0° |
| H091 | C09 | N10 | H102 | 60.0° | 176.0° |
| H091 | C09 | N10 | H1 | 60.0° | 60.0° |
| H111 | C11 | C12 | H121 | 0.1° | 0.0° |
| H121 | C12 | C13 | H131 | 0.1° | 0.1° |
