@MOLECULE (1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)acetone 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.0730 -0.9599 0.3221 N.ar 1 UNL1111111111 -0.3896 2 O 3.4999 1.4699 -0.1312 O.2 1 UNL1111111111 -0.4961 3 S 0.7305 1.5358 -0.1099 S.2 1 UNL1111111111 0.2559 4 C -3.4953 0.0289 0.0696 C.ar 1 UNL1111111111 0.3485 5 C -2.4162 -0.8453 0.2169 C.ar 1 UNL1111111111 -0.4065 6 C -1.1408 -0.2775 0.1585 C.ar 1 UNL1111111111 0.2562 7 C -0.9759 1.1087 -0.0549 C.ar 1 UNL1111111111 -0.3013 8 C -2.0715 1.9486 -0.1978 C.ar 1 UNL1111111111 -0.0042 9 C -3.3509 1.4099 -0.1350 C.ar 1 UNL1111111111 -0.2958 10 C 1.2111 -0.1748 0.1448 C.ar 1 UNL1111111111 0.2196 11 C 2.4895 -0.6213 0.1833 C.2 1 UNL1111111111 -0.5190 12 C 3.6259 0.2757 0.0438 C.2 1 UNL1111111111 0.5294 13 C 4.9927 -0.3486 0.1286 C.3 1 UNL1111111111 -0.5398 14 C 0.1345 -2.4209 0.4292 C.3 1 UNL1111111111 -0.0447 15 C 0.1591 -3.0799 -0.9510 C.3 1 UNL1111111111 -0.4714 16 O -4.7770 -0.4077 0.1119 O.3 1 UNL1111111111 -0.4620 17 H -2.5659 -1.9052 0.3660 H 1 UNL1111111111 0.1727 18 H -1.9396 3.0213 -0.3588 H 1 UNL1111111111 0.1661 19 H -4.2364 2.0307 -0.2418 H 1 UNL1111111111 0.1827 20 H 2.7209 -1.6712 0.3209 H 1 UNL1111111111 0.1777 21 H 5.1575 -0.8060 1.1121 H 1 UNL1111111111 0.1679 22 H 5.1249 -1.1259 -0.6333 H 1 UNL1111111111 0.1662 23 H 5.7802 0.4038 -0.0238 H 1 UNL1111111111 0.1754 24 H 1.0425 -2.7015 1.0153 H 1 UNL1111111111 0.1551 25 H -0.7372 -2.7786 1.0248 H 1 UNL1111111111 0.1477 26 H 0.2105 -4.1713 -0.8694 H 1 UNL1111111111 0.1558 27 H -0.7357 -2.8299 -1.5350 H 1 UNL1111111111 0.1596 28 H 1.0263 -2.7487 -1.5385 H 1 UNL1111111111 0.1650 29 H -4.8410 -1.3831 0.2573 H 1 UNL1111111111 0.3290 @BOND 1 1 6 ar 2 1 10 ar 3 1 14 1 4 2 12 2 5 3 7 ar 6 3 10 ar 7 4 5 ar 8 4 9 ar 9 4 16 1 10 5 6 ar 11 5 17 1 12 6 7 ar 13 7 8 ar 14 8 9 ar 15 8 18 1 16 9 19 1 17 10 11 2 18 11 12 1 19 11 20 1 20 12 13 1 21 13 21 1 22 13 22 1 23 13 23 1 24 14 15 1 25 14 24 1 26 14 25 1 27 15 26 1 28 15 27 1 29 15 28 1 30 16 29 1