@MOLECULE 1-[(2s)-2-(1-pyrrolidinylmethyl)-1-piperidinyl]-2-[4-(trifluoromethyl)phenyl]ethanone 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.0301 -0.5747 -1.2796 F 1 UNL1111111111 -0.2069 2 F 5.6348 1.1776 -0.2794 F 1 UNL1111111111 -0.2079 3 F 5.5097 -0.6330 0.7691 F 1 UNL1111111111 -0.2100 4 O -1.1898 2.6052 -0.7904 O.2 1 UNL1111111111 -0.5632 5 N -1.6983 -1.8066 0.3565 N.3 1 UNL1111111111 -0.4305 6 N -2.8171 1.2823 0.0081 N.am 1 UNL1111111111 -0.5110 7 C -3.2338 0.0572 0.7061 C.3 1 UNL1111111111 0.0937 8 C -2.9512 -1.2100 -0.1598 C.3 1 UNL1111111111 -0.1693 9 C -4.7237 0.1346 1.1054 C.3 1 UNL1111111111 -0.3010 10 C -5.6143 0.4970 -0.0834 C.3 1 UNL1111111111 -0.2588 11 C -3.6690 1.7196 -1.1163 C.3 1 UNL1111111111 -0.0632 12 C -0.6018 -1.7979 -0.6471 C.3 1 UNL1111111111 -0.1150 13 C -1.8570 -3.2370 0.7287 C.3 1 UNL1111111111 -0.1062 14 C -5.1381 1.8253 -0.6780 C.3 1 UNL1111111111 -0.2858 15 C -0.6437 -3.1458 -1.4038 C.3 1 UNL1111111111 -0.2935 16 C -1.4330 -4.0974 -0.4864 C.3 1 UNL1111111111 -0.2979 17 C -1.5242 1.7770 0.0397 C.2 1 UNL1111111111 0.5952 18 C -0.6109 1.3932 1.1862 C.3 1 UNL1111111111 -0.3833 19 C 0.7869 1.0528 0.7728 C.ar 1 UNL1111111111 0.0805 20 C 1.4342 0.0162 1.4589 C.ar 1 UNL1111111111 -0.1954 21 C 1.4698 1.7517 -0.2222 C.ar 1 UNL1111111111 -0.1706 22 C 2.7557 -0.3070 1.1688 C.ar 1 UNL1111111111 -0.0875 23 C 2.7890 1.4233 -0.5251 C.ar 1 UNL1111111111 -0.0807 24 C 3.4334 0.4058 0.1812 C.ar 1 UNL1111111111 -0.1555 25 C 4.8635 0.0980 -0.1392 C.3 1 UNL1111111111 0.5519 26 H -2.6357 -0.0319 1.6600 H 1 UNL1111111111 0.1560 27 H -3.8046 -1.9127 -0.0907 H 1 UNL1111111111 0.1379 28 H -2.8859 -0.9385 -1.2325 H 1 UNL1111111111 0.1430 29 H -5.0356 -0.8279 1.5516 H 1 UNL1111111111 0.1407 30 H -4.8455 0.8914 1.9074 H 1 UNL1111111111 0.1508 31 H -5.5886 -0.3009 -0.8460 H 1 UNL1111111111 0.1364 32 H -6.6700 0.5750 0.2374 H 1 UNL1111111111 0.1368 33 H -3.5653 1.0197 -1.9732 H 1 UNL1111111111 0.1270 34 H -3.3106 2.7166 -1.4765 H 1 UNL1111111111 0.1711 35 H 0.3522 -1.6957 -0.0820 H 1 UNL1111111111 0.1517 36 H -0.6633 -0.9265 -1.3219 H 1 UNL1111111111 0.1387 37 H -2.8801 -3.4657 1.0707 H 1 UNL1111111111 0.1263 38 H -1.1823 -3.4181 1.5932 H 1 UNL1111111111 0.1425 39 H -5.2505 2.6362 0.0679 H 1 UNL1111111111 0.1496 40 H -5.7623 2.1133 -1.5429 H 1 UNL1111111111 0.1402 41 H -1.1347 -3.0365 -2.3834 H 1 UNL1111111111 0.1385 42 H 0.3713 -3.5204 -1.6060 H 1 UNL1111111111 0.1444 43 H -2.3095 -4.5151 -1.0044 H 1 UNL1111111111 0.1351 44 H -0.8219 -4.9562 -0.1709 H 1 UNL1111111111 0.1391 45 H -0.5809 2.2608 1.8919 H 1 UNL1111111111 0.1914 46 H -1.0412 0.5495 1.7782 H 1 UNL1111111111 0.1859 47 H 0.9002 -0.5452 2.2258 H 1 UNL1111111111 0.1629 48 H 0.9717 2.5616 -0.7669 H 1 UNL1111111111 0.1991 49 H 3.2379 -1.1143 1.7200 H 1 UNL1111111111 0.1620 50 H 3.3057 1.9681 -1.3169 H 1 UNL1111111111 0.1650 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 4 17 2 5 5 8 1 6 5 12 1 7 5 13 1 8 6 7 1 9 6 11 1 10 6 17 am 11 7 8 1 12 7 9 1 13 7 26 1 14 8 27 1 15 8 28 1 16 9 10 1 17 9 29 1 18 9 30 1 19 10 14 1 20 10 31 1 21 10 32 1 22 11 14 1 23 11 33 1 24 11 34 1 25 12 15 1 26 12 35 1 27 12 36 1 28 13 16 1 29 13 37 1 30 13 38 1 31 14 39 1 32 14 40 1 33 15 16 1 34 15 41 1 35 15 42 1 36 16 43 1 37 16 44 1 38 17 18 1 39 18 19 1 40 18 45 1 41 18 46 1 42 19 20 ar 43 19 21 ar 44 20 22 ar 45 20 47 1 46 21 23 ar 47 21 48 1 48 22 24 ar 49 22 49 1 50 23 24 ar 51 23 50 1 52 24 25 1