A1I2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.45Å | |
| N01 | S02 | sing | 1.66Å | 1.70Å | |
| S02 | O03 | doub | 1.42Å | 1.45Å | |
| S02 | C05 | sing | 1.76Å | 1.81Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.32Å | 1.32Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| N07 | C08 | doub | 1.32Å | 1.31Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N01 | H3 | sing | 0.97Å | 1.00Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | N01 | 110.9° | 106.4° |
| O04 | S02 | O03 | 101.9° | 123.1° |
| O04 | S02 | C05 | 112.0° | 106.4° |
| N01 | S02 | O03 | 111.2° | 106.4° |
| N01 | S02 | C05 | 109.9° | 107.2° |
| S02 | N01 | H2 | 109.5° | 120.0° |
| S02 | N01 | H3 | 109.4° | 119.9° |
| O03 | S02 | C05 | 110.7° | 106.4° |
| S02 | C05 | C06 | 121.1° | 120.4° |
| S02 | C05 | C10 | 120.0° | 120.4° |
| C06 | C05 | C10 | 118.9° | 119.2° |
| C05 | C06 | N07 | 121.5° | 120.8° |
| C05 | C06 | H4 | 119.2° | 119.6° |
| C05 | C10 | C09 | 118.3° | 118.4° |
| C05 | C10 | H1 | 120.9° | 120.8° |
| C06 | N07 | C08 | 120.7° | 121.7° |
| N07 | C06 | H4 | 119.3° | 119.7° |
| C10 | C09 | C08 | 119.2° | 119.1° |
| C09 | C10 | H1 | 120.8° | 120.8° |
| C10 | C09 | H6 | 120.4° | 120.4° |
| N07 | C08 | C09 | 121.3° | 120.8° |
| N07 | C08 | H5 | 119.4° | 119.6° |
| C09 | C08 | H5 | 119.4° | 119.6° |
| C08 | C09 | H6 | 120.4° | 120.4° |
| H2 | N01 | H3 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | N01 | O03 | 112.7° | 132.9° |
| O04 | S02 | N01 | C05 | 124.4° | 113.5° |
| O04 | S02 | O03 | C05 | 119.3° | 122.9° |
| O04 | S02 | C05 | C06 | 17.8° | 156.4° |
| O04 | S02 | C05 | C10 | 161.8° | 23.5° |
| O04 | S02 | N01 | H2 | 180.0° | 113.6° |
| O04 | S02 | N01 | H3 | 60.0° | 66.5° |
| N01 | S02 | O03 | C05 | 122.5° | 114.1° |
| N01 | S02 | C05 | C06 | 141.5° | 90.1° |
| N01 | S02 | C05 | C10 | 38.0° | 90.0° |
| S02 | N01 | H2 | H3 | 120.0° | 179.9° |
| O03 | S02 | C05 | C06 | 95.3° | 23.5° |
| O03 | S02 | C05 | C10 | 85.2° | 156.4° |
| O03 | S02 | N01 | H2 | 67.3° | 113.5° |
| O03 | S02 | N01 | H3 | 52.7° | 66.4° |
| S02 | C05 | C06 | C10 | 179.5° | 179.9° |
| S02 | C05 | C06 | N07 | 179.7° | 180.0° |
| S02 | C05 | C10 | C09 | 180.0° | 180.0° |
| S02 | C05 | C10 | H1 | 0.1° | 0.3° |
| C05 | S02 | N01 | H2 | 55.6° | 0.0° |
| C05 | S02 | N01 | H3 | 175.6° | 180.0° |
| S02 | C05 | C06 | H4 | 0.3° | 0.1° |
| C05 | C06 | N07 | H4 | 180.0° | 179.8° |
| C06 | C05 | C10 | C09 | 0.4° | 0.0° |
| C05 | C06 | N07 | C08 | 0.7° | 0.1° |
| C06 | C05 | C10 | H1 | 179.6° | 179.7° |
| C10 | C05 | C06 | N07 | 0.8° | 0.1° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 0.0° | 0.0° |
| C10 | C05 | C06 | H4 | 179.2° | 180.0° |
| C05 | C10 | C09 | H6 | 180.0° | 179.7° |
| C06 | N07 | C08 | C09 | 0.3° | 0.0° |
| C06 | N07 | C08 | H5 | 179.7° | 180.0° |
| C10 | C09 | C08 | N07 | 0.1° | 0.1° |
| C10 | C09 | C08 | H6 | 180.0° | 179.8° |
| C10 | C09 | C08 | H5 | 180.0° | 180.0° |
| N07 | C08 | C09 | H5 | 180.0° | 180.0° |
| C08 | N07 | C06 | H4 | 179.3° | 179.9° |
| N07 | C08 | C09 | H6 | 179.9° | 179.7° |
| C08 | C09 | C10 | H1 | 180.0° | 179.7° |
| H1 | C10 | C09 | H6 | 0.0° | 0.0° |
| H5 | C08 | C09 | H6 | 0.0° | 0.2° |
