@MOLECULE 2-ethyl-5-hydroxy-4-methyl-2-(2-methyl-1,3-butadien-1-yl)-3(2h)-thiophenone 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.5539 1.5046 -0.0743 S.3 1 UNL111111111 -0.0535 2 O 0.6790 -2.3666 0.1255 O.2 1 UNL111111111 -0.4231 3 O 3.0972 1.4593 -1.1384 O.2 1 UNL111111111 -0.4144 4 C -0.1594 -0.1420 0.4577 C.3 1 UNL111111111 -0.0699 5 C -0.3409 -0.2536 1.9720 C.3 1 UNL111111111 -0.2517 6 C 0.8942 -1.1895 0.0141 C.2 1 UNL111111111 0.4622 7 C -1.4293 -0.3728 -0.2744 C.2 1 UNL111111111 -0.2437 8 C 2.1128 -0.5896 -0.5410 C.2 1 UNL111111111 -0.2654 9 C 2.0726 0.7554 -0.6442 C.2 1 UNL111111111 0.2281 10 C 0.9557 -0.1355 2.7688 C.3 1 UNL111111111 -0.4435 11 C -2.5435 0.3752 -0.2533 C.2 1 UNL111111111 0.0629 12 C 3.2364 -1.4630 -0.9360 C.3 1 UNL111111111 -0.3882 13 C -2.7477 1.6464 0.4973 C.3 1 UNL111111111 -0.4601 14 C -3.7097 -0.0259 -1.0554 C.2 1 UNL111111111 -0.1542 15 C -4.2308 -1.2532 -1.0203 C.2 1 UNL111111111 -0.2906 16 H -0.8091 -1.2453 2.1811 H 1 UNL111111111 0.1680 17 H -1.0758 0.4920 2.3368 H 1 UNL111111111 0.1493 18 H -1.4217 -1.2864 -0.8864 H 1 UNL111111111 0.1798 19 H 1.7103 -0.8596 2.4351 H 1 UNL111111111 0.1548 20 H 1.4015 0.8629 2.6993 H 1 UNL111111111 0.1523 21 H 0.7756 -0.3316 3.8333 H 1 UNL111111111 0.1484 22 H 3.6840 -1.9601 -0.0604 H 1 UNL111111111 0.1574 23 H 4.0371 -0.9087 -1.4472 H 1 UNL111111111 0.1576 24 H 2.8992 -2.2644 -1.6146 H 1 UNL111111111 0.1640 25 H -2.1077 1.7406 1.3843 H 1 UNL111111111 0.1594 26 H -3.7849 1.7465 0.8517 H 1 UNL111111111 0.1587 27 H -2.5457 2.5176 -0.1463 H 1 UNL111111111 0.1680 28 H -4.1294 0.7647 -1.6796 H 1 UNL111111111 0.1518 29 H 2.9204 2.4360 -1.1773 H 1 UNL111111111 0.3370 30 H -5.0910 -1.5522 -1.5991 H 1 UNL111111111 0.1449 31 H -3.8387 -2.0522 -0.4066 H 1 UNL111111111 0.1538 @BOND 1 1 4 1 2 1 9 1 3 2 6 2 4 3 9 1 5 3 29 1 6 4 5 1 7 4 6 1 8 4 7 1 9 5 10 1 10 5 16 1 11 5 17 1 12 6 8 1 13 7 11 2 14 7 18 1 15 8 9 2 16 8 12 1 17 10 19 1 18 10 20 1 19 10 21 1 20 11 13 1 21 11 14 1 22 12 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 15 2 29 14 28 1 30 15 30 1 31 15 31 1