A1EYY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL06 | C04 | sing | 1.74Å | 1.80Å | |
| C04 | C05 | doub | 1.34Å | 1.44Å | Aromatic |
| C04 | S03 | sing | 1.76Å | 1.53Å | Aromatic |
| C05 | N01 | sing | 1.32Å | 1.56Å | Aromatic |
| S03 | C02 | sing | 1.71Å | 1.56Å | Aromatic |
| N01 | C02 | doub | 1.30Å | 1.41Å | Aromatic |
| C02 | N07 | sing | 1.39Å | 1.45Å | |
| O10 | C08 | doub | 1.21Å | 1.19Å | |
| N07 | C08 | sing | 1.35Å | 1.46Å | |
| N07 | C11 | sing | 1.47Å | 1.45Å | |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL06 | C04 | C05 | 123.9° | 126.0° |
| CL06 | C04 | S03 | 128.2° | 126.0° |
| C05 | C04 | S03 | 107.9° | 108.0° |
| C04 | C05 | N01 | 108.9° | 114.6° |
| C04 | C05 | H1 | 125.6° | 122.7° |
| C04 | S03 | C02 | 106.4° | 90.4° |
| C05 | N01 | C02 | 108.3° | 116.9° |
| N01 | C05 | H1 | 125.5° | 122.7° |
| S03 | C02 | N01 | 108.6° | 110.1° |
| S03 | C02 | N07 | 129.8° | 124.9° |
| N01 | C02 | N07 | 121.6° | 125.0° |
| C02 | N07 | C08 | 121.4° | 120.0° |
| C02 | N07 | C11 | 118.4° | 119.9° |
| O10 | C08 | N07 | 119.7° | 120.0° |
| O10 | C08 | C09 | 119.6° | 120.0° |
| C08 | N07 | C11 | 120.2° | 120.0° |
| N07 | C08 | C09 | 120.7° | 120.0° |
| N07 | C11 | H5 | 109.5° | 109.5° |
| N07 | C11 | H6 | 109.5° | 109.4° |
| N07 | C11 | H7 | 109.5° | 109.5° |
| C08 | C09 | H2 | 109.5° | 109.5° |
| C08 | C09 | H3 | 109.5° | 109.4° |
| C08 | C09 | H4 | 109.5° | 109.4° |
| H2 | C09 | H3 | 109.5° | 109.6° |
| H2 | C09 | H4 | 109.4° | 109.5° |
| H3 | C09 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.4° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL06 | C04 | C05 | S03 | 179.7° | 179.9° |
| CL06 | C04 | C05 | N01 | 179.5° | 180.0° |
| CL06 | C04 | S03 | C02 | 179.8° | 179.9° |
| CL06 | C04 | C05 | H1 | 0.5° | 0.2° |
| C04 | C05 | N01 | H1 | 180.0° | 179.8° |
| C05 | C04 | S03 | C02 | 0.1° | 0.2° |
| C04 | C05 | N01 | C02 | 0.5° | 0.1° |
| S03 | C04 | C05 | N01 | 0.2° | 0.1° |
| C04 | S03 | C02 | N01 | 0.4° | 0.3° |
| C04 | S03 | C02 | N07 | 179.4° | 180.0° |
| S03 | C04 | C05 | H1 | 179.8° | 179.9° |
| C05 | N01 | C02 | S03 | 0.5° | 0.3° |
| C05 | N01 | C02 | N07 | 179.3° | 180.0° |
| S03 | C02 | N01 | N07 | 179.8° | 179.7° |
| S03 | C02 | N07 | C08 | 8.0° | 0.3° |
| S03 | C02 | N07 | C11 | 172.3° | 179.7° |
| N01 | C02 | N07 | C08 | 171.7° | 179.9° |
| N01 | C02 | N07 | C11 | 8.0° | 0.0° |
| C02 | N01 | C05 | H1 | 179.6° | 179.7° |
| C02 | N07 | C08 | O10 | 0.2° | 5.4° |
| C02 | N07 | C08 | C11 | 179.7° | 180.0° |
| C02 | N07 | C08 | C09 | 179.9° | 174.6° |
| C02 | N07 | C11 | H5 | 180.0° | 95.2° |
| C02 | N07 | C11 | H6 | 60.0° | 144.7° |
| C02 | N07 | C11 | H7 | 60.0° | 24.8° |
| O10 | C08 | N07 | C09 | 180.0° | 180.0° |
| O10 | C08 | N07 | C11 | 179.8° | 174.6° |
| O10 | C08 | C09 | H2 | 0.0° | 175.0° |
| O10 | C08 | C09 | H3 | 120.0° | 64.9° |
| O10 | C08 | C09 | H4 | 120.0° | 55.1° |
| N07 | C08 | C09 | H2 | 180.0° | 5.0° |
| N07 | C08 | C09 | H3 | 60.0° | 115.1° |
| N07 | C08 | C09 | H4 | 60.0° | 124.9° |
| C08 | N07 | C11 | H5 | 0.3° | 84.7° |
| C08 | N07 | C11 | H6 | 120.3° | 35.3° |
| C08 | N07 | C11 | H7 | 119.7° | 155.2° |
| C11 | N07 | C08 | C09 | 0.2° | 5.3° |
| N07 | C11 | H5 | H6 | 120.0° | 120.0° |
| N07 | C11 | H5 | H7 | 120.0° | 120.0° |
| N07 | C11 | H6 | H7 | 120.0° | 120.0° |
| C08 | C09 | H2 | H3 | 120.0° | 120.0° |
| C08 | C09 | H2 | H4 | 120.0° | 119.9° |
| C08 | C09 | H3 | H4 | 120.0° | 119.9° |
| H2 | C09 | H3 | H4 | 120.0° | 120.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
