@MOLECULE (2s)-n-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-[4-(cyclopropylmethyl)-1-piperazinyl]-n-methyl-2-phenylacetamide 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.2746 -0.8777 3.5362 F 1 UNL11 -0.1931 2 F -5.8663 0.4714 3.2643 F 1 UNL11 -0.1977 3 F -6.0096 -1.4978 2.5173 F 1 UNL11 -0.1959 4 F -5.4407 1.7527 -3.0695 F 1 UNL11 -0.2019 5 F -6.8795 0.4525 -2.2534 F 1 UNL11 -0.1953 6 F -6.6846 2.4179 -1.5087 F 1 UNL11 -0.1953 7 O 1.0066 -1.5421 0.5742 O.2 1 UNL11 -0.4984 8 N 5.1399 2.0806 0.5679 N.3 1 UNL11 -0.4230 9 N 3.5931 -0.2709 -0.0028 N.3 1 UNL11 -0.4050 10 N 0.4794 -1.0274 -1.5446 N.am 1 UNL11 -0.5025 11 C 7.1609 3.4458 0.7664 C.3 1 UNL11 -0.1466 12 C 7.1392 4.4344 -0.3805 C.3 1 UNL11 -0.3028 13 C 7.6847 4.8536 0.9624 C.3 1 UNL11 -0.3323 14 C 5.8522 3.0557 1.4309 C.3 1 UNL11 -0.1149 15 C 3.7039 1.9992 0.9317 C.3 1 UNL11 -0.1156 16 C 5.7425 0.7289 0.6641 C.3 1 UNL11 -0.1158 17 C 2.9925 1.0832 -0.0945 C.3 1 UNL11 -0.1256 18 C 5.0359 -0.1988 -0.3505 C.3 1 UNL11 -0.1207 19 C 2.9031 -1.2414 -0.8957 C.3 1 UNL11 -0.0598 20 C 3.4162 -2.6375 -0.6265 C.ar 1 UNL11 -0.0347 21 C 1.4086 -1.2580 -0.5331 C.2 1 UNL11 0.5597 22 C 3.4732 -3.1174 0.6832 C.ar 1 UNL11 -0.0988 23 C 3.8172 -3.4454 -1.6907 C.ar 1 UNL11 -0.1649 24 C -0.9310 -0.9755 -1.1491 C.3 1 UNL11 -0.0461 25 C 0.8296 -0.3663 -2.8015 C.3 1 UNL11 -0.2304 26 C -1.2771 0.3592 -0.4456 C.3 1 UNL11 -0.3298 27 C 3.9381 -4.4068 0.9285 C.ar 1 UNL11 -0.1536 28 C 4.2765 -4.7368 -1.4406 C.ar 1 UNL11 -0.1533 29 C 4.3385 -5.2165 -0.1334 C.ar 1 UNL11 -0.1421 30 C -2.7402 0.4001 -0.1604 C.ar 1 UNL11 -0.0074 31 C -3.6241 0.8630 -1.1380 C.ar 1 UNL11 -0.0911 32 C -3.2292 -0.0433 1.0716 C.ar 1 UNL11 -0.0747 33 C -4.9923 0.8794 -0.8792 C.ar 1 UNL11 -0.1368 34 C -4.5993 -0.0137 1.3189 C.ar 1 UNL11 -0.1340 35 C -5.4907 0.4447 0.3484 C.ar 1 UNL11 -0.0539 36 C -5.1653 -0.4721 2.6339 C.3 1 UNL11 0.5434 37 C -5.9706 1.3658 -1.9100 C.3 1 UNL11 0.5439 38 H 7.8818 2.6241 0.7227 H 1 UNL11 0.1523 39 H 7.8090 4.2948 -1.2224 H 1 UNL11 0.1527 40 H 6.1856 4.8238 -0.7264 H 1 UNL11 0.1595 41 H 7.1305 5.5599 1.5721 H 1 UNL11 0.1543 42 H 8.7514 5.0148 1.0847 H 1 UNL11 0.1550 43 H 5.2079 3.9554 1.5553 H 1 UNL11 0.1405 44 H 6.0494 2.6664 2.4544 H 1 UNL11 0.1221 45 H 3.5380 1.6045 1.9580 H 1 UNL11 0.1350 46 H 3.2622 3.0157 0.8812 H 1 UNL11 0.1328 47 H 6.8196 0.7973 0.4049 H 1 UNL11 0.1370 48 H 5.6670 0.2944 1.6846 H 1 UNL11 0.1315 49 H 1.9159 1.0199 0.1724 H 1 UNL11 0.1382 50 H 3.0750 1.5259 -1.1092 H 1 UNL11 0.1237 51 H 5.2110 0.1737 -1.3823 H 1 UNL11 0.1277 52 H 5.4700 -1.2202 -0.2788 H 1 UNL11 0.1496 53 H 3.0583 -0.9799 -1.9745 H 1 UNL11 0.1377 54 H 3.1418 -2.4718 1.5033 H 1 UNL11 0.1869 55 H 3.7712 -3.0775 -2.7123 H 1 UNL11 0.1449 56 H -1.1360 -1.8289 -0.4544 H 1 UNL11 0.1716 57 H -1.5727 -1.1294 -2.0426 H 1 UNL11 0.1391 58 H 1.4970 -1.0170 -3.3972 H 1 UNL11 0.1492 59 H 1.3238 0.6076 -2.6417 H 1 UNL11 0.1356 60 H -0.0693 -0.1890 -3.4178 H 1 UNL11 0.1532 61 H -0.9603 1.2166 -1.0704 H 1 UNL11 0.1549 62 H -0.6752 0.4411 0.4876 H 1 UNL11 0.1809 63 H 3.9825 -4.7812 1.9489 H 1 UNL11 0.1515 64 H 4.5858 -5.3716 -2.2676 H 1 UNL11 0.1463 65 H 4.6976 -6.2250 0.0577 H 1 UNL11 0.1453 66 H -3.2231 1.2044 -2.0944 H 1 UNL11 0.1701 67 H -2.5201 -0.4108 1.8207 H 1 UNL11 0.1852 68 H -6.5674 0.4627 0.5475 H 1 UNL11 0.1824 @BOND 1 1 36 1 2 2 36 1 3 3 36 1 4 4 37 1 5 5 37 1 6 6 37 1 7 7 21 2 8 8 14 1 9 8 15 1 10 8 16 1 11 9 17 1 12 9 18 1 13 9 19 1 14 10 21 am 15 10 24 1 16 10 25 1 17 11 12 1 18 11 13 1 19 11 14 1 20 11 38 1 21 12 13 1 22 12 39 1 23 12 40 1 24 13 41 1 25 13 42 1 26 14 43 1 27 14 44 1 28 15 17 1 29 15 45 1 30 15 46 1 31 16 18 1 32 16 47 1 33 16 48 1 34 17 49 1 35 17 50 1 36 18 51 1 37 18 52 1 38 19 20 1 39 19 21 1 40 19 53 1 41 20 22 ar 42 20 23 ar 43 22 27 ar 44 22 54 1 45 23 28 ar 46 23 55 1 47 24 26 1 48 24 56 1 49 24 57 1 50 25 58 1 51 25 59 1 52 25 60 1 53 26 30 1 54 26 61 1 55 26 62 1 56 27 29 ar 57 27 63 1 58 28 29 ar 59 28 64 1 60 29 65 1 61 30 31 ar 62 30 32 ar 63 31 33 ar 64 31 66 1 65 32 34 ar 66 32 67 1 67 33 35 ar 68 33 37 1 69 34 35 ar 70 34 36 1 71 35 68 1