@MOLECULE (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.3989 -0.5664 1.3756 C.3 1 UNL1111111111 0.0616 2 C -0.0249 0.9162 1.1850 C.3 1 UNL1111111111 -0.0869 3 C 0.6825 1.6316 0.0053 C.3 1 UNL1111111111 0.0905 4 C 2.1102 1.1099 -0.2261 C.3 1 UNL1111111111 0.0732 5 C 2.0495 -0.4190 -0.3646 C.3 1 UNL1111111111 0.0242 6 C 3.4411 -1.0344 -0.5598 C.3 1 UNL1111111111 -0.0118 7 C -2.0540 -0.0838 0.6158 C.2 1 UNL1111111111 0.1964 8 C -3.4929 -0.1873 0.2636 C.3 1 UNL1111111111 -0.2932 9 C -5.1524 -0.2218 -1.6280 C.3 1 UNL1111111111 -0.4392 10 N -1.4617 1.0082 0.9309 N.2 1 UNL1111111111 -0.4350 11 O 0.8558 2.9937 0.3328 O.3 1 UNL1111111111 -0.5656 12 O 2.5928 1.5820 -1.4637 O.3 1 UNL1111111111 -0.5437 13 O 1.6324 -0.9432 0.8926 O.3 1 UNL1111111111 -0.3823 14 O 3.3235 -2.3704 -0.9904 O.3 1 UNL1111111111 -0.5335 15 S -1.0124 -1.5697 0.6325 S.3 1 UNL1111111111 -0.1293 16 C -3.6768 -0.0830 -1.2602 C.3 1 UNL1111111111 -0.2346 17 H 0.4889 -0.8448 2.4533 H 1 UNL1111111111 0.1724 18 H 0.1932 1.4895 2.1288 H 1 UNL1111111111 0.1888 19 H 0.0828 1.5710 -0.9336 H 1 UNL1111111111 0.1511 20 H 2.8030 1.4404 0.5792 H 1 UNL1111111111 0.1524 21 H -0.0151 3.4182 0.5006 H 1 UNL1111111111 0.3401 22 H 1.3547 -0.7439 -1.1698 H 1 UNL1111111111 0.1651 23 H 2.5181 2.5643 -1.4908 H 1 UNL1111111111 0.3381 24 H 4.0452 -0.9975 0.3646 H 1 UNL1111111111 0.1316 25 H 3.9808 -0.5347 -1.3916 H 1 UNL1111111111 0.1712 26 H 2.7969 -2.8875 -0.3439 H 1 UNL1111111111 0.3202 27 H -4.0669 0.6283 0.7636 H 1 UNL1111111111 0.1773 28 H -3.9429 -1.1296 0.6420 H 1 UNL1111111111 0.1684 29 H -3.0834 -0.8621 -1.7776 H 1 UNL1111111111 0.1470 30 H -3.2846 0.8897 -1.6188 H 1 UNL1111111111 0.1464 31 H -5.7631 0.5551 -1.1532 H 1 UNL1111111111 0.1458 32 H -5.5563 -1.1939 -1.3219 H 1 UNL1111111111 0.1463 33 H -5.2990 -0.1347 -2.7116 H 1 UNL1111111111 0.1474 @BOND 1 1 2 1 2 1 13 1 3 1 15 1 4 1 17 1 5 2 3 1 6 2 10 1 7 2 18 1 8 3 4 1 9 3 11 1 10 3 19 1 11 4 5 1 12 4 12 1 13 4 20 1 14 5 6 1 15 5 13 1 16 5 22 1 17 6 14 1 18 6 24 1 19 6 25 1 20 7 8 1 21 7 10 2 22 7 15 1 23 8 16 1 24 8 27 1 25 8 28 1 26 9 16 1 27 9 31 1 28 9 32 1 29 9 33 1 30 11 21 1 31 12 23 1 32 14 26 1 33 16 29 1 34 16 30 1