@MOLECULE 1-(4-(benzothiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.1388 -1.0707 -0.1468 S.2 1 UNL1111111111 0.1495 2 O 5.2471 3.1033 0.6680 O.3 1 UNL1111111111 -0.5703 3 O 6.4486 1.2747 1.0526 O.2 1 UNL1111111111 -0.5183 4 O -2.6878 -2.1665 -0.0532 O.3 1 UNL1111111111 -0.2735 5 N 3.4957 -1.0092 -0.3500 N.3 1 UNL1111111111 -0.4219 6 N -2.8079 0.1988 0.0422 N.ar 1 UNL1111111111 -0.4672 7 C 5.0308 1.4048 -0.9464 C.3 1 UNL1111111111 -0.1713 8 C 5.5212 0.0011 -1.3271 C.3 1 UNL1111111111 -0.2700 9 C 3.5019 1.4055 -0.8082 C.3 1 UNL1111111111 -0.2700 10 C 4.9789 -1.0701 -0.3611 C.3 1 UNL1111111111 -0.1164 11 C 3.0348 0.3061 0.1608 C.3 1 UNL1111111111 -0.1183 12 C 2.9364 -2.1223 0.4612 C.3 1 UNL1111111111 -0.1319 13 C 5.6656 1.8493 0.3429 C.2 1 UNL1111111111 0.6364 14 C 1.4357 -2.1387 0.3276 C.ar 1 UNL1111111111 -0.0181 15 C 0.8576 -2.0296 -0.9416 C.ar 1 UNL1111111111 -0.1168 16 C 0.6355 -2.2464 1.4668 C.ar 1 UNL1111111111 -0.1511 17 C -0.5260 -1.9975 -1.0801 C.ar 1 UNL1111111111 -0.1804 18 C -0.7529 -2.2204 1.3507 C.ar 1 UNL1111111111 -0.1773 19 C -1.2925 -2.0927 0.0765 C.ar 1 UNL1111111111 0.1868 20 C -3.3294 -0.9962 -0.0394 C.ar 1 UNL1111111111 0.2998 21 C -5.1423 0.6916 -0.0658 C.ar 1 UNL1111111111 -0.2057 22 C -3.8139 1.1838 0.0298 C.ar 1 UNL1111111111 0.1529 23 C -6.2182 1.5660 -0.0881 C.ar 1 UNL1111111111 -0.1061 24 C -3.5664 2.5559 0.1036 C.ar 1 UNL1111111111 -0.1520 25 C -5.9637 2.9334 -0.0141 C.ar 1 UNL1111111111 -0.1680 26 C -4.6542 3.4207 0.0806 C.ar 1 UNL1111111111 -0.1233 27 H 5.3261 2.1332 -1.7470 H 1 UNL1111111111 0.1694 28 H 6.6264 -0.0367 -1.3352 H 1 UNL1111111111 0.1480 29 H 5.1843 -0.2341 -2.3569 H 1 UNL1111111111 0.1565 30 H 3.0445 1.2313 -1.8033 H 1 UNL1111111111 0.1611 31 H 3.1377 2.3927 -0.4648 H 1 UNL1111111111 0.1563 32 H 5.2858 -2.0756 -0.7204 H 1 UNL1111111111 0.1364 33 H 5.4274 -0.9326 0.6482 H 1 UNL1111111111 0.1360 34 H 3.3901 0.5180 1.1913 H 1 UNL1111111111 0.1182 35 H 1.9203 0.2988 0.1974 H 1 UNL1111111111 0.1585 36 H 3.2461 -2.0731 1.5283 H 1 UNL1111111111 0.1265 37 H 3.3462 -3.0793 0.0567 H 1 UNL1111111111 0.1529 38 H 1.5038 -1.9410 -1.8180 H 1 UNL1111111111 0.1761 39 H 1.0903 -2.3366 2.4519 H 1 UNL1111111111 0.1573 40 H 5.6369 3.4461 1.5072 H 1 UNL1111111111 0.3545 41 H -0.9985 -1.8873 -2.0531 H 1 UNL1111111111 0.1728 42 H -1.3969 -2.2840 2.2242 H 1 UNL1111111111 0.1720 43 H -7.2425 1.2027 -0.1613 H 1 UNL1111111111 0.1609 44 H -2.5426 2.9196 0.1771 H 1 UNL1111111111 0.1774 45 H -6.7945 3.6367 -0.0297 H 1 UNL1111111111 0.1561 46 H -4.4874 4.4966 0.1372 H 1 UNL1111111111 0.1558 @BOND 1 1 20 ar 2 1 21 ar 3 2 13 1 4 2 40 1 5 3 13 2 6 4 19 1 7 4 20 1 8 5 10 1 9 5 11 1 10 5 12 1 11 6 20 ar 12 6 22 ar 13 7 8 1 14 7 9 1 15 7 13 1 16 7 27 1 17 8 10 1 18 8 28 1 19 8 29 1 20 9 11 1 21 9 30 1 22 9 31 1 23 10 32 1 24 10 33 1 25 11 34 1 26 11 35 1 27 12 14 1 28 12 36 1 29 12 37 1 30 14 15 ar 31 14 16 ar 32 15 17 ar 33 15 38 1 34 16 18 ar 35 16 39 1 36 17 19 ar 37 17 41 1 38 18 19 ar 39 18 42 1 40 21 22 ar 41 21 23 ar 42 22 24 ar 43 23 25 ar 44 23 43 1 45 24 26 ar 46 24 44 1 47 25 26 ar 48 25 45 1 49 26 46 1