A1AVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.47Å | 1.45Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| S09 | C08 | sing | 1.81Å | 1.81Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| O10 | C07 | doub | 1.21Å | 1.18Å | |
| C07 | C06 | sing | 1.47Å | 1.53Å | |
| C11 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 1.01Å | 1.00Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| S09 | H091 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 110.2° | 109.5° |
| N01 | C02 | H022 | 109.3° | 109.4° |
| N01 | C02 | H021 | 109.3° | 109.5° |
| C02 | N01 | H012 | 109.5° | 111.0° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| C02 | C03 | C04 | 119.7° | 119.8° |
| C02 | C03 | C12 | 120.4° | 119.8° |
| C03 | C02 | H022 | 109.3° | 109.5° |
| C03 | C02 | H021 | 109.3° | 109.5° |
| C03 | C04 | C05 | 120.2° | 120.2° |
| C04 | C03 | C12 | 119.9° | 120.4° |
| C03 | C04 | H041 | 119.9° | 119.9° |
| C04 | C05 | C06 | 119.9° | 119.8° |
| C05 | C04 | H041 | 119.9° | 119.9° |
| C04 | C05 | H051 | 120.0° | 120.1° |
| C05 | C06 | C07 | 120.0° | 120.2° |
| C05 | C06 | C11 | 120.0° | 119.6° |
| C06 | C05 | H051 | 120.1° | 120.1° |
| S09 | C08 | C07 | 108.2° | 109.5° |
| S09 | C08 | H081 | 109.8° | 109.5° |
| S09 | C08 | H082 | 109.8° | 109.5° |
| C08 | S09 | H091 | 102.0° | 103.0° |
| C08 | C07 | O10 | 118.9° | 120.0° |
| C08 | C07 | C06 | 120.3° | 120.0° |
| C07 | C08 | H081 | 109.8° | 109.4° |
| C07 | C08 | H082 | 109.8° | 109.4° |
| O10 | C07 | C06 | 120.8° | 120.0° |
| C07 | C06 | C11 | 120.1° | 120.2° |
| C06 | C11 | C12 | 120.1° | 119.9° |
| C06 | C11 | H111 | 119.9° | 120.0° |
| C11 | C12 | C03 | 119.9° | 120.1° |
| C12 | C11 | H111 | 120.0° | 120.1° |
| C11 | C12 | H121 | 120.1° | 119.9° |
| C03 | C12 | H121 | 120.1° | 119.9° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H012 | N01 | H011 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H022 | 120.1° | 120.0° |
| N01 | C02 | C03 | H021 | 120.1° | 120.0° |
| N01 | C02 | C03 | C04 | 27.8° | 89.7° |
| N01 | C02 | C03 | C12 | 152.5° | 90.0° |
| N01 | C02 | H022 | H021 | 119.7° | 120.0° |
| C02 | N01 | H012 | H011 | 120.0° | 124.0° |
| C02 | C03 | C04 | C12 | 179.7° | 179.7° |
| C02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C02 | C03 | C12 | C11 | 179.9° | 179.8° |
| C03 | C02 | H022 | H021 | 119.6° | 120.0° |
| C02 | C03 | C04 | H041 | 0.1° | 0.1° |
| C02 | C03 | C12 | H121 | 0.1° | 0.1° |
| C03 | C02 | N01 | H012 | 180.0° | 56.0° |
| C03 | C02 | N01 | H011 | 60.0° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C03 | C12 | C11 | 0.2° | 0.5° |
| C04 | C03 | C02 | H022 | 92.3° | 30.3° |
| C04 | C03 | C02 | H021 | 148.0° | 150.3° |
| C03 | C04 | C05 | H051 | 179.9° | 179.9° |
| C04 | C03 | C12 | H121 | 179.8° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 180.0° | 180.0° |
| C04 | C05 | C06 | C11 | 0.0° | 0.1° |
| C05 | C04 | C03 | C12 | 0.2° | 0.4° |
| C05 | C06 | C07 | C08 | 174.4° | 180.0° |
| C05 | C06 | C07 | O10 | 5.5° | 0.0° |
| C05 | C06 | C07 | C11 | 179.9° | 180.0° |
| C05 | C06 | C11 | C12 | 0.0° | 0.2° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C05 | C06 | C11 | H111 | 180.0° | 180.0° |
| S09 | C08 | C07 | H081 | 119.8° | 120.1° |
| S09 | C08 | C07 | H082 | 119.8° | 120.0° |
| S09 | C08 | C07 | O10 | 24.0° | 0.0° |
| S09 | C08 | C07 | C06 | 156.1° | 180.0° |
| S09 | C08 | H081 | H082 | 120.6° | 120.1° |
| C08 | C07 | O10 | C06 | 179.9° | 180.0° |
| C08 | C07 | C06 | C11 | 5.7° | 0.0° |
| C07 | C08 | H081 | H082 | 120.5° | 119.9° |
| C07 | C08 | S09 | H091 | 10.4° | 180.0° |
| O10 | C07 | C06 | C11 | 174.5° | 180.0° |
| O10 | C07 | C08 | H081 | 95.8° | 120.0° |
| O10 | C07 | C08 | H082 | 143.8° | 120.0° |
| C07 | C06 | C11 | C12 | 179.9° | 179.8° |
| C07 | C06 | C05 | H051 | 0.0° | 0.0° |
| C06 | C07 | C08 | H081 | 84.1° | 59.9° |
| C06 | C07 | C08 | H082 | 36.3° | 60.0° |
| C07 | C06 | C11 | H111 | 0.0° | 0.0° |
| C06 | C11 | C12 | H111 | 180.0° | 179.8° |
| C06 | C11 | C12 | C03 | 0.1° | 0.5° |
| C11 | C06 | C05 | H051 | 180.0° | 180.0° |
| C06 | C11 | C12 | H121 | 179.9° | 179.8° |
| C11 | C12 | C03 | H121 | 180.0° | 179.8° |
| C12 | C03 | C02 | H022 | 87.4° | 150.0° |
| C12 | C03 | C02 | H021 | 32.3° | 30.0° |
| C12 | C03 | C04 | H041 | 179.8° | 179.8° |
| C03 | C12 | C11 | H111 | 179.9° | 179.7° |
| H022 | C02 | N01 | H012 | 59.9° | 63.9° |
| H022 | C02 | N01 | H011 | 60.1° | 60.0° |
| H021 | C02 | N01 | H012 | 59.9° | 176.1° |
| H021 | C02 | N01 | H011 | 179.9° | 59.9° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H081 | C08 | S09 | H091 | 109.3° | 60.0° |
| H082 | C08 | S09 | H091 | 130.2° | 60.1° |
| H111 | C11 | C12 | H121 | 0.1° | 0.0° |
