@MOLECULE 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,3-benzothiazole 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.4020 1.2582 0.9849 S.2 1 UNL1111111111 0.0771 2 O 5.4339 1.2587 -1.7627 O.3 1 UNL1111111111 -0.3383 3 O 6.8024 1.4914 0.1443 O.3 1 UNL1111111111 -0.3428 4 N 1.2497 -1.4087 -0.0448 N.3 1 UNL1111111111 -0.4098 5 N -1.4696 -0.5587 0.0632 N.pl3 1 UNL1111111111 -0.3847 6 N -3.6999 -0.7324 -0.7390 N.ar 1 UNL1111111111 -0.5064 7 C 0.8316 -0.3276 0.8794 C.3 1 UNL1111111111 -0.1264 8 C 0.1489 -2.3931 -0.1910 C.3 1 UNL1111111111 -0.1323 9 C -0.3764 0.4148 0.2579 C.3 1 UNL1111111111 -0.0860 10 C -1.0695 -1.6805 -0.8184 C.3 1 UNL1111111111 -0.0847 11 C 2.4853 -2.0778 0.4376 C.3 1 UNL1111111111 -0.1260 12 C -2.7614 -0.1202 -0.0381 C.ar 1 UNL1111111111 0.2929 13 C 3.6438 -1.1142 0.4117 C.ar 1 UNL1111111111 -0.0110 14 C 3.8912 -0.3901 -0.7739 C.ar 1 UNL1111111111 -0.1810 15 C 4.4532 -0.9769 1.5354 C.ar 1 UNL1111111111 -0.1827 16 C 4.9745 0.4512 -0.7511 C.ar 1 UNL1111111111 0.1271 17 C -5.0156 0.9122 0.3840 C.ar 1 UNL1111111111 -0.2116 18 C -4.9695 -0.1878 -0.5105 C.ar 1 UNL1111111111 0.1794 19 C 5.7974 0.5891 0.3920 C.ar 1 UNL1111111111 0.1216 20 C 5.5629 -0.1108 1.5495 C.ar 1 UNL1111111111 -0.1831 21 C -6.2148 1.5455 0.6716 C.ar 1 UNL1111111111 -0.0962 22 C -6.1406 -0.6556 -1.1154 C.ar 1 UNL1111111111 -0.1701 23 C 6.5940 1.9267 -1.2182 C.3 1 UNL1111111111 0.1563 24 C -7.3758 1.0733 0.0645 C.ar 1 UNL1111111111 -0.1839 25 C -7.3360 -0.0146 -0.8176 C.ar 1 UNL1111111111 -0.1144 26 H 1.6767 0.3876 0.9955 H 1 UNL1111111111 0.1543 27 H 0.5695 -0.6989 1.8930 H 1 UNL1111111111 0.1303 28 H -0.1424 -2.8655 0.7713 H 1 UNL1111111111 0.1293 29 H 0.4827 -3.2038 -0.8743 H 1 UNL1111111111 0.1439 30 H -0.6819 1.2371 0.9374 H 1 UNL1111111111 0.1507 31 H -0.0773 0.8717 -0.7147 H 1 UNL1111111111 0.1529 32 H -0.8229 -1.3136 -1.8396 H 1 UNL1111111111 0.1502 33 H -1.9191 -2.3966 -0.9218 H 1 UNL1111111111 0.1732 34 H 2.7106 -2.9223 -0.2596 H 1 UNL1111111111 0.1565 35 H 2.3606 -2.5284 1.4474 H 1 UNL1111111111 0.1259 36 H 3.2402 -0.4971 -1.6397 H 1 UNL1111111111 0.1936 37 H 4.2354 -1.5491 2.4361 H 1 UNL1111111111 0.1590 38 H 6.1915 -0.0081 2.4276 H 1 UNL1111111111 0.1737 39 H -6.2582 2.3920 1.3554 H 1 UNL1111111111 0.1585 40 H -6.0958 -1.5007 -1.7991 H 1 UNL1111111111 0.1749 41 H 6.3814 3.0044 -1.1966 H 1 UNL1111111111 0.1411 42 H 7.4676 1.6153 -1.8073 H 1 UNL1111111111 0.1415 43 H -8.3282 1.5543 0.2770 H 1 UNL1111111111 0.1546 44 H -8.2612 -0.3619 -1.2775 H 1 UNL1111111111 0.1530 @BOND 1 1 12 ar 2 1 17 ar 3 2 16 1 4 2 23 1 5 3 19 1 6 3 23 1 7 4 7 1 8 4 8 1 9 4 11 1 10 5 9 1 11 5 10 1 12 5 12 1 13 6 12 ar 14 6 18 ar 15 7 9 1 16 7 26 1 17 7 27 1 18 8 10 1 19 8 28 1 20 8 29 1 21 9 30 1 22 9 31 1 23 10 32 1 24 10 33 1 25 11 13 1 26 11 34 1 27 11 35 1 28 13 14 ar 29 13 15 ar 30 14 16 ar 31 14 36 1 32 15 20 ar 33 15 37 1 34 16 19 ar 35 17 18 ar 36 17 21 ar 37 18 22 ar 38 19 20 ar 39 20 38 1 40 21 24 ar 41 21 39 1 42 22 25 ar 43 22 40 1 44 23 41 1 45 23 42 1 46 24 25 ar 47 24 43 1 48 25 44 1