@MOLECULE (2s)-2-[(2r)-3,4-dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl laurate 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6131 0.2558 -0.0702 O.3 1 UNL111111111 -0.4237 2 O -1.1509 2.1717 -1.0397 O.3 1 UNL111111111 -0.3629 3 O -1.4104 2.3091 1.8662 O.3 1 UNL111111111 -0.5259 4 O 1.2081 0.3804 0.9783 O.2 1 UNL111111111 -0.4425 5 O -3.8865 -0.9950 1.7774 O.2 1 UNL111111111 -0.5082 6 O 2.3532 2.8279 -0.4337 O.2 1 UNL111111111 -0.4226 7 O -0.0729 3.9313 -1.9348 O.2 1 UNL111111111 -0.4255 8 C 0.7499 -3.1387 -0.3040 C.3 1 UNL111111111 -0.2690 9 C 2.0771 -3.0607 -1.0686 C.3 1 UNL111111111 -0.2705 10 C -0.4235 -2.7364 -1.2064 C.3 1 UNL111111111 -0.2701 11 C 3.2735 -3.3707 -0.1581 C.3 1 UNL111111111 -0.2714 12 C -1.7232 -2.6921 -0.3944 C.3 1 UNL111111111 -0.2788 13 C 3.5730 -2.2396 0.8359 C.3 1 UNL111111111 -0.2752 14 C -2.9016 -2.2475 -1.2690 C.3 1 UNL111111111 -0.2537 15 C 4.2599 -1.0505 0.1537 C.3 1 UNL111111111 -0.2818 16 C -4.1569 -1.9909 -0.4244 C.3 1 UNL111111111 -0.3501 17 C 4.5068 0.0852 1.1548 C.3 1 UNL111111111 -0.2391 18 C -1.7255 1.1684 1.1002 C.3 1 UNL111111111 0.0919 19 C -0.8372 1.0765 -0.1513 C.3 1 UNL111111111 0.0278 20 C -3.2007 1.3675 0.7123 C.3 1 UNL111111111 -0.0364 21 C -3.8894 -0.9073 0.5781 C.2 1 UNL111111111 0.6073 22 C 0.6341 1.2543 0.1567 C.2 1 UNL111111111 0.1553 23 C 5.1255 1.2986 0.4658 C.3 1 UNL111111111 -0.4458 24 C 1.0920 2.3546 -0.4822 C.2 1 UNL111111111 -0.0861 25 C -0.0275 2.9617 -1.2373 C.2 1 UNL111111111 0.5644 26 H 0.5964 -4.1602 0.0900 H 1 UNL111111111 0.1340 27 H 0.7870 -2.4744 0.5821 H 1 UNL111111111 0.1461 28 H 2.1960 -2.0574 -1.5196 H 1 UNL111111111 0.1394 29 H 2.0630 -3.7712 -1.9164 H 1 UNL111111111 0.1320 30 H -0.5201 -3.4489 -2.0456 H 1 UNL111111111 0.1352 31 H -0.2244 -1.7515 -1.6697 H 1 UNL111111111 0.1363 32 H 3.0831 -4.3092 0.3972 H 1 UNL111111111 0.1368 33 H 4.1690 -3.5699 -0.7771 H 1 UNL111111111 0.1362 34 H -1.6011 -2.0111 0.4708 H 1 UNL111111111 0.1429 35 H -1.9299 -3.6860 0.0455 H 1 UNL111111111 0.1424 36 H 2.6351 -1.9111 1.3245 H 1 UNL111111111 0.1416 37 H 4.2166 -2.6246 1.6499 H 1 UNL111111111 0.1354 38 H -3.1187 -3.0204 -2.0319 H 1 UNL111111111 0.1436 39 H -2.6397 -1.3326 -1.8372 H 1 UNL111111111 0.1556 40 H 3.6478 -0.6893 -0.6939 H 1 UNL111111111 0.1417 41 H 5.2194 -1.3723 -0.2937 H 1 UNL111111111 0.1432 42 H -4.4696 -2.9144 0.1078 H 1 UNL111111111 0.1760 43 H -5.0078 -1.7056 -1.0777 H 1 UNL111111111 0.1754 44 H 5.1663 -0.2671 1.9717 H 1 UNL111111111 0.1421 45 H 3.5545 0.3771 1.6553 H 1 UNL111111111 0.1096 46 H -1.5909 0.2539 1.7284 H 1 UNL111111111 0.1519 47 H -1.0575 0.1543 -0.7384 H 1 UNL111111111 0.1821 48 H -3.8389 1.4919 1.6054 H 1 UNL111111111 0.1592 49 H -3.3433 2.2221 0.0199 H 1 UNL111111111 0.1770 50 H 4.4724 1.6923 -0.3241 H 1 UNL111111111 0.1558 51 H 6.0868 1.0498 0.0021 H 1 UNL111111111 0.1464 52 H 5.3049 2.1143 1.1757 H 1 UNL111111111 0.1460 53 H -0.5015 2.2308 2.2288 H 1 UNL111111111 0.3234 54 H 2.2192 0.5211 1.0234 H 1 UNL111111111 0.3627 55 H 2.4193 3.6648 -0.9757 H 1 UNL111111111 0.3428 @BOND 1 1 20 1 2 1 21 1 3 2 19 1 4 2 25 1 5 3 18 1 6 3 53 1 7 4 22 1 8 4 54 1 9 5 21 2 10 6 24 1 11 6 55 1 12 7 25 2 13 8 9 1 14 8 10 1 15 8 26 1 16 8 27 1 17 9 11 1 18 9 28 1 19 9 29 1 20 10 12 1 21 10 30 1 22 10 31 1 23 11 13 1 24 11 32 1 25 11 33 1 26 12 14 1 27 12 34 1 28 12 35 1 29 13 15 1 30 13 36 1 31 13 37 1 32 14 16 1 33 14 38 1 34 14 39 1 35 15 17 1 36 15 40 1 37 15 41 1 38 16 21 1 39 16 42 1 40 16 43 1 41 17 23 1 42 17 44 1 43 17 45 1 44 18 19 1 45 18 20 1 46 18 46 1 47 19 22 1 48 19 47 1 49 20 48 1 50 20 49 1 51 22 24 2 52 23 50 1 53 23 51 1 54 23 52 1 55 24 25 1