A1EBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | S02 | sing | 1.82Å | 1.87Å | |
| C11 | C10 | sing | 1.52Å | 1.52Å | |
| S02 | C09 | sing | 1.78Å | 1.71Å | |
| C10 | N01 | sing | 1.48Å | 1.52Å | |
| C09 | N01 | doub | 1.29Å | 1.27Å | Aromatic |
| C09 | S01 | sing | 1.77Å | 1.71Å | Aromatic |
| N01 | C07 | sing | 1.37Å | 1.47Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.53Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.31Å | Aromatic |
| S01 | C08 | sing | 1.76Å | 1.87Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.31Å | Aromatic |
| C07 | C08 | doub | 1.33Å | 1.43Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.52Å | |
| C04 | C03 | doub | 1.39Å | 1.53Å | Aromatic |
| C01 | CL | sing | 1.74Å | 1.79Å | |
| C01 | C02 | doub | 1.38Å | 1.53Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.32Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S02 | C11 | C10 | 107.1° | 103.4° |
| C11 | S02 | C09 | 93.1° | 95.8° |
| S02 | C11 | H7 | 110.1° | 110.6° |
| S02 | C11 | H8 | 110.1° | 110.6° |
| C11 | C10 | N01 | 106.1° | 112.6° |
| C11 | C10 | H1 | 110.3° | 108.9° |
| C10 | C11 | H7 | 110.1° | 110.7° |
| C11 | C10 | H10 | 110.3° | 108.8° |
| C10 | C11 | H8 | 110.1° | 110.7° |
| S02 | C09 | N01 | 113.7° | 111.1° |
| S02 | C09 | S01 | 133.8° | 138.0° |
| C10 | N01 | C09 | 119.9° | 117.1° |
| C10 | N01 | C07 | 120.2° | 129.1° |
| N01 | C10 | H1 | 110.3° | 108.8° |
| N01 | C10 | H10 | 110.3° | 108.8° |
| N01 | C09 | S01 | 112.4° | 110.9° |
| C09 | N01 | C07 | 119.9° | 113.8° |
| C09 | S01 | C08 | 91.6° | 90.1° |
| N01 | C07 | C08 | 108.3° | 117.0° |
| N01 | C07 | C04 | 125.5° | 121.5° |
| C06 | C05 | C04 | 119.8° | 119.9° |
| C05 | C06 | C01 | 120.0° | 120.1° |
| C06 | C05 | H4 | 120.1° | 120.0° |
| C05 | C06 | H5 | 120.0° | 120.0° |
| C05 | C04 | C07 | 119.9° | 120.1° |
| C05 | C04 | C03 | 120.3° | 119.8° |
| C04 | C05 | H4 | 120.1° | 120.1° |
| S01 | C08 | C07 | 107.7° | 108.2° |
| S01 | C08 | H6 | 126.1° | 125.9° |
| C06 | C01 | CL | 119.9° | 119.8° |
| C06 | C01 | C02 | 120.1° | 120.2° |
| C01 | C06 | H5 | 120.0° | 120.0° |
| C08 | C07 | C04 | 126.2° | 121.5° |
| C07 | C08 | H6 | 126.1° | 125.9° |
| C07 | C04 | C03 | 119.8° | 120.1° |
| C04 | C03 | C02 | 119.8° | 119.9° |
| C04 | C03 | H3 | 120.1° | 120.1° |
| CL | C01 | C02 | 119.9° | 119.9° |
| C01 | C02 | C03 | 119.9° | 120.1° |
| C01 | C02 | H2 | 120.0° | 119.9° |
| C03 | C02 | H2 | 120.1° | 120.0° |
| C02 | C03 | H3 | 120.1° | 120.0° |
| H1 | C10 | H10 | 109.5° | 108.8° |
| H7 | C11 | H8 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S02 | C11 | C10 | H7 | 119.6° | 118.5° |
| S02 | C11 | C10 | H8 | 119.6° | 118.5° |
| S02 | C11 | C10 | N01 | 0.0° | 0.0° |
| C11 | S02 | C09 | N01 | 0.0° | 0.0° |
| C11 | S02 | C09 | S01 | 180.0° | 180.0° |
| S02 | C11 | C10 | H1 | 119.5° | 120.8° |
| S02 | C11 | H7 | H8 | 121.1° | 122.9° |
| S02 | C11 | C10 | H10 | 119.4° | 120.7° |
| C10 | C11 | S02 | C09 | 0.0° | 0.0° |
| C11 | C10 | N01 | H1 | 119.4° | 120.8° |
| C11 | C10 | N01 | H10 | 119.5° | 120.7° |
| C11 | C10 | N01 | C09 | 0.0° | 0.0° |
| C11 | C10 | N01 | C07 | 180.0° | 180.0° |
| C11 | C10 | H1 | H10 | 121.6° | 118.4° |
| C10 | C11 | H7 | H8 | 121.1° | 123.1° |
| S02 | C09 | N01 | C10 | 0.0° | 0.0° |
| S02 | C09 | N01 | S01 | 180.0° | 180.0° |
| S02 | C09 | N01 | C07 | 180.0° | 180.0° |
| S02 | C09 | S01 | C08 | 180.0° | 180.0° |
| C09 | S02 | C11 | H7 | 119.6° | 118.5° |
| C09 | S02 | C11 | H8 | 119.6° | 118.5° |
| C10 | N01 | C09 | C07 | 180.0° | 180.0° |
| C10 | N01 | C09 | S01 | 180.0° | 180.0° |
| C10 | N01 | C07 | C08 | 180.0° | 180.0° |
| C10 | N01 | C07 | C04 | 0.0° | 0.0° |
| N01 | C10 | H1 | H10 | 121.5° | 118.5° |
| N01 | C10 | C11 | H7 | 119.6° | 118.5° |
| N01 | C10 | C11 | H8 | 119.7° | 118.4° |
| N01 | C09 | S01 | C08 | 0.0° | 0.0° |
| C09 | N01 | C07 | C08 | 0.0° | 0.0° |
| C09 | N01 | C07 | C04 | 180.0° | 180.0° |
| C09 | N01 | C10 | H1 | 119.5° | 120.8° |
| C09 | N01 | C10 | H10 | 119.4° | 120.7° |
| S01 | C09 | N01 | C07 | 0.0° | 0.0° |
| C09 | S01 | C08 | C07 | 0.0° | 0.0° |
| C09 | S01 | C08 | H6 | 180.0° | 180.0° |
| N01 | C07 | C04 | C05 | 95.3° | 151.0° |
| N01 | C07 | C08 | S01 | 0.0° | 0.0° |
| N01 | C07 | C08 | C04 | 180.0° | 179.9° |
| N01 | C07 | C04 | C03 | 84.6° | 28.9° |
| C07 | N01 | C10 | H1 | 60.5° | 59.1° |
| N01 | C07 | C08 | H6 | 179.9° | 180.0° |
| C07 | N01 | C10 | H10 | 60.5° | 59.3° |
| C06 | C05 | C04 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | H5 | 180.0° | 179.5° |
| C06 | C05 | C04 | C07 | 179.9° | 179.8° |
| C06 | C05 | C04 | C03 | 0.1° | 0.3° |
| C05 | C06 | C01 | CL | 180.0° | 179.8° |
| C05 | C06 | C01 | C02 | 0.0° | 0.5° |
| C04 | C05 | C06 | C01 | 0.0° | 0.5° |
| C05 | C04 | C07 | C08 | 84.8° | 29.0° |
| C05 | C04 | C07 | C03 | 179.9° | 179.9° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | H3 | 179.9° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| S01 | C08 | C07 | H6 | 180.0° | 180.0° |
| S01 | C08 | C07 | C04 | 180.0° | 180.0° |
| C06 | C01 | CL | C02 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | H2 | 180.0° | 179.7° |
| C01 | C06 | C05 | H4 | 179.9° | 180.0° |
| C08 | C07 | C04 | C03 | 95.4° | 151.0° |
| C07 | C04 | C03 | C02 | 179.9° | 180.0° |
| C07 | C04 | C03 | H3 | 0.0° | 0.0° |
| C07 | C04 | C05 | H4 | 0.0° | 0.3° |
| C04 | C07 | C08 | H6 | 0.0° | 0.1° |
| C04 | C03 | C02 | C01 | 0.0° | 0.1° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | H4 | 179.9° | 179.8° |
| CL | C01 | C02 | C03 | 180.0° | 180.0° |
| CL | C01 | C02 | H2 | 0.0° | 0.1° |
| CL | C01 | C06 | H5 | 0.0° | 0.3° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | H3 | 179.9° | 179.9° |
| C02 | C01 | C06 | H5 | 180.0° | 180.0° |
| H1 | C10 | C11 | H7 | 0.2° | 2.3° |
| H1 | C10 | C11 | H8 | 120.9° | 120.7° |
| H2 | C02 | C03 | H3 | 0.1° | 0.0° |
| H4 | C05 | C06 | H5 | 0.1° | 0.5° |
| H7 | C11 | C10 | H10 | 120.9° | 120.8° |
| H10 | C10 | C11 | H8 | 0.2° | 2.3° |
