@MOLECULE 3-[(E)-dodec-5-enoyl]-4-hydroxy-5-methylene-furan-2-one 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7322 1.8941 -0.5580 O.3 1 UNL111111111 -0.3753 2 O 2.5248 1.8664 -1.1150 O.2 1 UNL111111111 -0.4205 3 O 0.2192 1.1068 2.3356 O.2 1 UNL111111111 -0.3930 4 O -0.3041 1.9735 -2.2817 O.2 1 UNL111111111 -0.3272 5 C -1.3900 -2.1035 -0.4351 C.3 1 UNL111111111 -0.2707 6 C -0.4811 -2.7150 0.6384 C.3 1 UNL111111111 -0.2629 7 C -2.7666 -1.7601 0.1471 C.3 1 UNL111111111 -0.2739 8 C 0.7783 -3.3526 0.0267 C.3 1 UNL111111111 -0.2797 9 C -3.6236 -1.0195 -0.8879 C.3 1 UNL111111111 -0.2551 10 C 4.0208 0.1024 0.4662 C.3 1 UNL111111111 -0.2372 11 C 3.8042 -1.0049 -0.5799 C.3 1 UNL111111111 -0.2814 12 C 1.6925 -2.3069 -0.5226 C.2 1 UNL111111111 -0.1627 13 C 2.6920 0.6882 0.9539 C.3 1 UNL111111111 -0.3716 14 C 2.9175 -2.0805 -0.0403 C.2 1 UNL111111111 -0.1697 15 C -5.0426 -0.7984 -0.3648 C.3 1 UNL111111111 -0.4389 16 C 1.9627 1.3999 -0.1566 C.2 1 UNL111111111 0.5168 17 C 0.5083 1.5130 0.0053 C.2 1 UNL111111111 -0.4128 18 C -0.2496 1.3898 1.1265 C.2 1 UNL111111111 0.3159 19 C -0.3998 1.8155 -1.1116 C.2 1 UNL111111111 0.5979 20 C -1.6762 1.6300 0.7889 C.2 1 UNL111111111 0.1437 21 C -2.7694 1.6154 1.5458 C.2 1 UNL111111111 -0.3476 22 H -0.9183 -1.1989 -0.8622 H 1 UNL111111111 0.1400 23 H -1.5072 -2.8062 -1.2819 H 1 UNL111111111 0.1428 24 H -0.1897 -1.9443 1.3748 H 1 UNL111111111 0.1301 25 H -1.0368 -3.4841 1.2071 H 1 UNL111111111 0.1332 26 H -2.6571 -1.1415 1.0553 H 1 UNL111111111 0.1249 27 H -3.2807 -2.6843 0.4699 H 1 UNL111111111 0.1340 28 H 0.4915 -4.0630 -0.7767 H 1 UNL111111111 0.1494 29 H 1.2863 -3.9708 0.7933 H 1 UNL111111111 0.1370 30 H -3.6557 -1.5914 -1.8344 H 1 UNL111111111 0.1378 31 H -3.1561 -0.0464 -1.1410 H 1 UNL111111111 0.1499 32 H 4.5896 -0.2964 1.3261 H 1 UNL111111111 0.1316 33 H 4.6444 0.9063 0.0235 H 1 UNL111111111 0.1536 34 H 3.3849 -0.5562 -1.5063 H 1 UNL111111111 0.1621 35 H 4.7821 -1.4313 -0.8822 H 1 UNL111111111 0.1435 36 H 1.2828 -1.7303 -1.3514 H 1 UNL111111111 0.1515 37 H 2.8644 1.4014 1.7861 H 1 UNL111111111 0.1668 38 H 2.0633 -0.1217 1.3825 H 1 UNL111111111 0.1745 39 H 3.3355 -2.6520 0.7841 H 1 UNL111111111 0.1380 40 H -5.0429 -0.2342 0.5731 H 1 UNL111111111 0.1340 41 H -5.5523 -1.7501 -0.1788 H 1 UNL111111111 0.1402 42 H -5.6457 -0.2372 -1.0880 H 1 UNL111111111 0.1435 43 H -0.5048 1.0800 3.0262 H 1 UNL111111111 0.3419 44 H -3.7550 1.8102 1.1361 H 1 UNL111111111 0.1884 45 H -2.7843 1.4131 2.6017 H 1 UNL111111111 0.1575 @BOND 1 1 19 1 2 1 20 1 3 2 16 2 4 3 18 1 5 3 43 1 6 4 19 2 7 5 6 1 8 5 7 1 9 5 22 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 9 1 15 7 26 1 16 7 27 1 17 8 12 1 18 8 28 1 19 8 29 1 20 9 15 1 21 9 30 1 22 9 31 1 23 10 11 1 24 10 13 1 25 10 32 1 26 10 33 1 27 11 14 1 28 11 34 1 29 11 35 1 30 12 14 2 31 12 36 1 32 13 16 1 33 13 37 1 34 13 38 1 35 14 39 1 36 15 40 1 37 15 41 1 38 15 42 1 39 16 17 1 40 17 18 2 41 17 19 1 42 18 20 1 43 20 21 2 44 21 44 1 45 21 45 1