| Co. | -CDocker energy (kcal/mol) |
| BENZ 32 | 27.2281 |
| BENZ 34 | 30.6591 |
| BENZ 35 | 36.9788 |
| BENZ 48 | 31.2675 |
| BENZ 56 | 7.09464 |
| BENZ 57 | -39.4743 |
| BENZ 61 | 34.1176 |
| BENZ 62 | -28.8812 |
| BENZ 63 | -101.662 |
| BENZ 66 | -69.9333 |