@MOLECULE 5-[(2e)-1-hydroxy-2-buten-1-yl]-4-methoxy-6-methyl-2h-pyran-2-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.8631 1.3378 -0.4346 O.3 1 UNL11111111 -0.6293 2 O -1.4777 1.4545 1.8385 O.3 1 UNL11111111 -0.6119 3 O -0.1149 -2.0399 0.7293 O.2 1 UNL11111111 -0.1048 4 O 3.6937 0.2953 -1.0013 O.2 1 UNL11111111 -0.3669 5 C -0.0468 0.2546 0.4494 C.2 1 UNL11111111 -0.1784 6 C -1.4362 0.2982 1.0047 C.3 1 UNL11111111 -0.2269 7 C 0.6213 1.3814 0.0490 C.2 1 UNL11111111 0.8336 8 C 0.6378 -0.9961 0.3297 C.2 1 UNL11111111 0.2763 9 C -2.4700 0.4252 -0.0792 C.2 1 UNL11111111 -0.0566 10 C 1.9126 -1.0701 -0.1581 C.2 1 UNL11111111 -0.6578 11 C 0.1263 2.7758 0.0713 C.3 1 UNL11111111 -1.0292 12 C 2.5947 0.1146 -0.5601 C.2 1 UNL11111111 0.6804 13 C -2.6503 -0.5201 -1.0045 C.2 1 UNL11111111 -0.1404 14 C -3.6525 -0.4049 -2.0977 C.3 1 UNL11111111 -0.8148 15 C 0.4800 -3.3343 0.6769 C.3 1 UNL11111111 -0.5933 16 H -1.6424 -0.5868 1.6594 H 1 UNL11111111 0.2127 17 H -3.0462 1.3459 -0.0569 H 1 UNL11111111 0.1855 18 H 2.4659 -1.9956 -0.2651 H 1 UNL11111111 0.2978 19 H 0.0462 3.1396 1.1142 H 1 UNL11111111 0.3329 20 H -0.8885 2.8471 -0.3541 H 1 UNL11111111 0.3006 21 H 0.7847 3.4694 -0.4759 H 1 UNL11111111 0.3128 22 H -2.0524 -1.4330 -1.0172 H 1 UNL11111111 0.2167 23 H -2.3251 1.4976 2.3187 H 1 UNL11111111 0.3659 24 H -4.2182 -1.3381 -2.2276 H 1 UNL11111111 0.2238 25 H -4.3827 0.3972 -1.9276 H 1 UNL11111111 0.2282 26 H -3.1562 -0.1910 -3.0573 H 1 UNL11111111 0.2884 27 H -0.3255 -3.9736 1.0621 H 1 UNL11111111 0.2360 28 H 1.3585 -3.3841 1.3295 H 1 UNL11111111 0.1548 29 H 0.7292 -3.6037 -0.3549 H 1 UNL11111111 0.2639 @BOND 1 26 14 1 2 24 14 1 3 14 25 1 4 14 13 1 5 22 13 1 6 13 9 2 7 4 12 2 8 12 1 1 9 12 10 1 10 21 11 1 11 1 7 1 12 29 15 1 13 20 11 1 14 18 10 1 15 10 8 2 16 9 17 1 17 9 6 1 18 7 11 1 19 7 5 2 20 11 19 1 21 8 5 1 22 8 3 1 23 5 6 1 24 15 3 1 25 15 27 1 26 15 28 1 27 6 16 1 28 6 2 1 29 2 23 1