Table 1 Sensitivity of conformer choice in 3-D neighboring.
| Â | CID 2244 1st conf. | CID 2244 2nd conf. | CID 2244 3rd conf. | CID 450661 1st conf. | CID 450661 2nd conf. | CID 450661 3rd conf. |
|---|---|---|---|---|---|---|
CID 2244 1st conf. | 1251 (100%) | 411 (32%) | 188 (15%) | 442 (35%) | 775 (61%) | 194 (14%) |
CID 2244 2nd conf. | 411 (33%) | 1296 (100%) | 186 (15%) | 812 (65%) | 519 (41%) | 219 (16%) |
CID 2244 3rd conf. | 188 (15%) | 186 (14%) | 1214 (100%) | 194 (16%) | 219 (17%) | 730 (54%) |
CID 450661 1st conf. | 442 (35%) | 812 (63%) | 194 (16%) | 1251 (100%) | 420 (33%) | 229 (17%) |
CID 450661 2nd conf. | 775 (62%) | 519 (40%) | 219 (18%) | 420 (34%) | 1265 (100%) | 193 (14%) |
CID 450661 3rd conf. | 194 (16%) | 219 (17%) | 730 (60%) | 229 (18%) | 193 (15%) | 1340 (100%) |