@MOLECULE (3r)-1-(2-naphthylsulfonyl)-3-piperidinecarboxylic acid 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2182 0.8439 0.1172 C.ar 1 UNL11111 -0.0538 2 C 3.5088 0.3223 -0.1747 C.ar 1 UNL11111 -0.0439 3 C 4.5407 1.1528 -0.6930 C.ar 1 UNL11111 -0.1395 4 C 5.7759 0.6294 -0.9726 C.ar 1 UNL11111 -0.1630 5 C 6.0374 -0.7463 -0.7466 C.ar 1 UNL11111 -0.1219 6 C 5.0595 -1.5660 -0.2456 C.ar 1 UNL11111 -0.1827 7 C 3.7692 -1.0468 0.0532 C.ar 1 UNL11111 0.0320 8 C 2.7363 -1.8715 0.5789 C.ar 1 UNL11111 -0.1784 9 C 1.4986 -1.3486 0.8530 C.ar 1 UNL11111 -0.0830 10 C 1.2371 0.0223 0.6105 C.ar 1 UNL11111 -0.3675 11 S -0.3596 0.6683 0.9555 S.O2 1 UNL11111 2.3219 12 O -1.0480 -0.2306 1.8554 O.2 1 UNL11111 -0.9170 13 O -0.2304 2.0784 1.2488 O.2 1 UNL11111 -0.9137 14 N -1.1630 0.5478 -0.6034 N.3 1 UNL11111 -0.7192 15 C -2.1289 -0.5498 -0.7473 C.3 1 UNL11111 -0.0656 16 C -1.6976 1.8046 -1.1589 C.3 1 UNL11111 -0.0707 17 C -3.0480 2.2136 -0.5390 C.3 1 UNL11111 -0.3109 18 C -4.0697 1.0819 -0.6804 C.3 1 UNL11111 -0.2602 19 C -3.5010 -0.2239 -0.1054 C.3 1 UNL11111 -0.2258 20 C -4.4478 -1.3526 -0.3813 C.2 1 UNL11111 0.6332 21 O -4.2716 -2.3398 -1.0465 O.2 1 UNL11111 -0.5196 22 O -5.6383 -1.1440 0.2391 O.3 1 UNL11111 -0.5624 23 H 2.0444 1.9123 -0.0577 H 1 UNL11111 0.1724 24 H 4.3295 2.2084 -0.8612 H 1 UNL11111 0.1568 25 H 6.5729 1.2566 -1.3697 H 1 UNL11111 0.1586 26 H 7.0286 -1.1366 -0.9783 H 1 UNL11111 0.1575 27 H 5.2534 -2.6227 -0.0689 H 1 UNL11111 0.1582 28 H 2.9494 -2.9234 0.7603 H 1 UNL11111 0.1570 29 H 0.7130 -1.9890 1.2716 H 1 UNL11111 0.1780 30 H -2.2589 -0.7530 -1.8380 H 1 UNL11111 0.1560 31 H -1.7183 -1.4902 -0.3123 H 1 UNL11111 0.1590 32 H -0.9528 2.6232 -1.0267 H 1 UNL11111 0.1541 33 H -1.8105 1.6611 -2.2588 H 1 UNL11111 0.1393 34 H -2.9131 2.4854 0.5276 H 1 UNL11111 0.1638 35 H -3.4218 3.1315 -1.0270 H 1 UNL11111 0.1410 36 H -5.0107 1.3459 -0.1573 H 1 UNL11111 0.1544 37 H -4.3424 0.9480 -1.7446 H 1 UNL11111 0.1409 38 H -3.3763 -0.1218 1.0101 H 1 UNL11111 0.2089 39 H -6.2935 -1.8702 0.0951 H 1 UNL11111 0.3555 @BOND 1 1 10 ar 2 1 23 1 3 2 1 ar 4 3 2 ar 5 3 24 1 6 4 3 ar 7 4 25 1 8 5 6 ar 9 5 4 ar 10 5 26 1 11 6 7 ar 12 6 27 1 13 7 8 ar 14 7 2 ar 15 8 9 ar 16 8 28 1 17 9 10 ar 18 9 29 1 19 10 11 1 20 11 12 2 21 11 13 2 22 14 11 1 23 15 14 1 24 15 30 1 25 15 31 1 26 16 14 1 27 16 32 1 28 16 33 1 29 17 16 1 30 17 34 1 31 17 35 1 32 18 17 1 33 18 19 1 34 18 36 1 35 18 37 1 36 19 15 1 37 19 38 1 38 20 19 1 39 20 22 1 40 21 20 2 41 22 39 1